2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide

C15H22N4O3 — CID 71545737

IUPAC2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cn1cc(CC2CCCCC2)nn1)N[C@H]1CCOC1=O
InChIInChI=1S/C15H22N4O3/c20-14(16-13-6-7-22-15(13)21)10-19-9-12(17-18-19)8-11-4-2-1-3-5-11/h9,11,13H,1-8,10H2,(H,16,20)/t13-/m0/s1
InChIKeyYPFUTDJWSFRDPE-ZDUSSCGKSA-N
MW306.37 g/mol
LogP0.83
Rot. Bonds5

About 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 71545737) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID71545737
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cn1cc(CC2CCCCC2)nn1)N[C@H]1CCOC1=O
InChIInChI=1S/C15H22N4O3/c20-14(16-13-6-7-22-15(13)21)10-19-9-12(17-18-19)8-11-4-2-1-3-5-11/h9,11,13H,1-8,10H2,(H,16,20)/t13-/m0/s1
InChIKeyYPFUTDJWSFRDPE-ZDUSSCGKSA-N
XLogP0.83
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide 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

N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide
CID 71539232
3-(4-Octyltriazol-1-yl)oxolan-2-one
CID 70684395
3-(4-Dodecyltriazol-1-yl)oxolan-2-one
CID 70692862
2-(4-butyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 71545576
2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 71545735
3-(4-Hexyltriazol-1-yl)oxolan-2-one
CID 70682312
3-(4-Decyltriazol-1-yl)oxolan-2-one
CID 70688654
3-(4-Heptyltriazol-1-yl)oxolan-2-one
CID 70694898
N-[(3S)-2-oxooxolan-3-yl]-2-(4-propyltriazol-1-yl)acetamide
CID 71545575
2-(4-hexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 71545733
2-(4-cyclopropyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 71545734
2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 71545736

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 71545737) is 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(Cn1cc(CC2CCCCC2)nn1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is YPFUTDJWSFRDPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14(16-13-6-7-22-15(13)21)10-19-9-12(17-18-19)8-11-4-2-1-3-5-11/h9,11,13H,1-8,10H2,(H,16,20)/t13-/m0/s1.
What are the key properties of 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 71545737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).