4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE
4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE structure
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Common Name | 4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE | ||
|---|---|---|---|---|
| CAS Number | 668970-91-0 | Molecular Weight | 121.13700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C7H7NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Ethynyl-3,5-dimethyl-1,2-oxazole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C7H7NO |
|---|---|
| Molecular Weight | 121.13700 |
| Exact Mass | 121.05300 |
| PSA | 26.03000 |
| LogP | 1.27270 |
| InChIKey | VRIFFHHNSRUZNX-UHFFFAOYSA-N |
| SMILES | C#Cc1c(C)noc1C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Glutathione reactivity assessed as thiol reactivity rate constant at 250 uM up to 72 ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4480471
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Name: Glutathione reactivity assessed as half life at 250 uM up to 72 hrs by HPLC-MS or NMR...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4480472
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Name: Stability of the compound assessed as half life for degradation
Source: ChEMBL
Target: N/A
External Id: CHEMBL4480473
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-ethynyl-3,5-dimethyl-soxazole |
| 4-ethynyl-3,5-dimethylisoxazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: SMILES notation of 4-Ethynyl-3,5-dimethyl-1,2-oxazole is C#Cc1c(C)noc1C. |
| Q: What are the upstream materials of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: Related upstream materials(CAS) of 4-Ethynyl-3,5-dimethyl-1,2-oxazole: 1201657-82-0;10557-85-4;300-87-8. |
| Q: What is the CAS number of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: CAS number of 4-Ethynyl-3,5-dimethyl-1,2-oxazole is 668970-91-0. |
| Q: What is the English name of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: The English name of 4-Ethynyl-3,5-dimethyl-1,2-oxazole is 4-Ethynyl-3,5-dimethyl-1,2-oxazole. |
| Q: What is the molecular formula of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: Molecular formula of 4-Ethynyl-3,5-dimethyl-1,2-oxazole is C7H7NO. |
| Q: What is the LogP of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: LogP of 4-Ethynyl-3,5-dimethyl-1,2-oxazole is 1.27270. |
| Q: What is the InChIKey of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: InChIKey of 4-Ethynyl-3,5-dimethyl-1,2-oxazole is VRIFFHHNSRUZNX-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: Molecular weight of 4-Ethynyl-3,5-dimethyl-1,2-oxazole is 121.13700. |
| Q: What is the polar surface area (PSA) of 4-Ethynyl-3,5-dimethyl-1,2-oxazole? |
| A: Polar surface area (PSA) of 4-Ethynyl-3,5-dimethyl-1,2-oxazole is 26.03000. |
| Q: What English synonyms does 4-Ethynyl-3,5-dimethyl-1,2-oxazole have? |
| A: English synonyms of 4-Ethynyl-3,5-dimethyl-1,2-oxazole: 4-ethynyl-3,5-dimethyl-soxazole, 4-ethynyl-3,5-dimethylisoxazole. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |