1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide

C17H22N4O3 — CID 35265921

IUPAC1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c2C)c1
InChIInChI=1S/C17H22N4O3/c1-11(15-8-5-9-24-15)18-17(22)16-12(2)21(20-19-16)13-6-4-7-14(10-13)23-3/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,18,22)/t11-,15-/m0/s1
InChIKeyAWPXOLAZJFLNQT-NHYWBVRUSA-N
MW330.39 g/mol
LogP1.88
Rot. Bonds5

About 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide

1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 35265921) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide
PubChem CID35265921
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c2C)c1
InChIInChI=1S/C17H22N4O3/c1-11(15-8-5-9-24-15)18-17(22)16-12(2)21(20-19-16)13-6-4-7-14(10-13)23-3/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,18,22)/t11-,15-/m0/s1
InChIKeyAWPXOLAZJFLNQT-NHYWBVRUSA-N
XLogP1.88
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326
N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55650551
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide
CID 43062299
6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
CID 35240540
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 93044901
N-(4-cyclopentylsulfonylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55669945
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55807505
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55777633
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55798793
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide (CID 35265921) is 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is AWPXOLAZJFLNQT-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(15-8-5-9-24-15)18-17(22)16-12(2)21(20-19-16)13-6-4-7-14(10-13)23-3/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,18,22)/t11-,15-/m0/s1.
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide?
1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 35265921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).