1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

C16H20N4O2 — CID 95183308

IUPAC1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCCc1ccc(-n2cc(C(=O)NC[C@@H]3CCCO3)nn2)cc1
InChIInChI=1S/C16H20N4O2/c1-2-12-5-7-13(8-6-12)20-11-15(18-19-20)16(21)17-10-14-4-3-9-22-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyHGIADJXVDUFCAM-AWEZNQCLSA-N
MW300.36 g/mol
LogP1.74
Rot. Bonds5

About 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 95183308) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID95183308
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCCc1ccc(-n2cc(C(=O)NC[C@@H]3CCCO3)nn2)cc1
InChIInChI=1S/C16H20N4O2/c1-2-12-5-7-13(8-6-12)20-11-15(18-19-20)16(21)17-10-14-4-3-9-22-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyHGIADJXVDUFCAM-AWEZNQCLSA-N
XLogP1.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
1-tert-butyl-N-(oxan-2-ylmethyl)triazole-4-carboxamide
CID 139007712
1-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443036
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443025
4-[4-(3H-isoindol-1-yl)triazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 147292724
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219
1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide
CID 94032802
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 95183308) is 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is CCc1ccc(-n2cc(C(=O)NC[C@@H]3CCCO3)nn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is HGIADJXVDUFCAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-12-5-7-13(8-6-12)20-11-15(18-19-20)16(21)17-10-14-4-3-9-22-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,21)/t14-/m0/s1.
What are the key properties of 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 95183308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).