(3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide

C13H13ClN4O2 — CID 95176892

IUPAC(3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2Cl)n1)[C@H]1CCOC1
InChIInChI=1S/C13H13ClN4O2/c14-10-4-2-1-3-9(10)11-15-13(18-17-11)16-12(19)8-5-6-20-7-8/h1-4,8H,5-7H2,(H2,15,16,17,18,19)/t8-/m0/s1
InChIKeyKDOLEEXBDZZUCW-QMMMGPOBSA-N
MW292.73 g/mol
LogP2.10
Rot. Bonds3

About (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide

(3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide (PubChem CID 95176892) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide
PubChem CID95176892
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name(3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2Cl)n1)[C@H]1CCOC1
InChIInChI=1S/C13H13ClN4O2/c14-10-4-2-1-3-9(10)11-15-13(18-17-11)16-12(19)8-5-6-20-7-8/h1-4,8H,5-7H2,(H2,15,16,17,18,19)/t8-/m0/s1
InChIKeyKDOLEEXBDZZUCW-QMMMGPOBSA-N
XLogP2.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide
CID 136588190
2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 78878372
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 60514601
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 156584180
(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide
CID 99876961
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 47558112
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 75921279
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
(3R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-3-carboxamide
CID 129410497
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
CID 95275818

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide (CID 95176892) is (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide is O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The InChIKey is KDOLEEXBDZZUCW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-4-2-1-3-9(10)11-15-13(18-17-11)16-12(19)8-5-6-20-7-8/h1-4,8H,5-7H2,(H2,15,16,17,18,19)/t8-/m0/s1.
What are the key properties of (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
(3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 95176892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).