(3S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide

Update Time: 2025-04-25 17:03:18

	Common Name	(3S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide	English Name	(3S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
	CAS NO.	N/A	Molecular Weight	366.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₆N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(3S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide

Molecular Formula	C21H26N4O2
Molecular Weight	366.5
Exact Mass	366.20557608
LogP	2.00
Standard SMILES	Cc1cc(CN(CCc2c[nH]c3ccccc23)C(=O)C2CCOC2)n(C)n1
Canonical SMILES	CC1=NN(C(=C1)CN(CCC2=CNC3=CC=CC=C32)C(=O)C4CCOC4)C
Isomeric SMILES	CC1=NN(C(=C1)CN(CCC2=CNC3=CC=CC=C32)C(=O)[C@H]4CCOC4)C
Standard InChI Identifier	InChI=1S/C21H26N4O2/c1-15-11-18(24(2)23-15)13-25(21(26)17-8-10-27-14-17)9-7-16-12-22-20-6-4-3-5-19(16)20/h3-6,11-12,17,22H,7-10,13-14H2,1-2H3/t17-/m0/s1
Standard InChI Key	AHZOOYURNHFMNE-KRWDZBQOSA-N
Compound Complexity	516.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：1 Rotatable Bond Count：6 Heavy Atom Count：27 Total Chiral Atom Count：1 Defined Chiral Atom Count：1 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：366.20557608