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

C14H20N4O3 — CID 71545736

IUPAC2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cn1cc(C2CCCCC2)nn1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H20N4O3/c19-13(15-11-6-7-21-14(11)20)9-18-8-12(16-17-18)10-4-2-1-3-5-10/h8,10-11H,1-7,9H2,(H,15,19)/t11-/m0/s1
InChIKeyJKIKKURMUIPGNM-NSHDSACASA-N
MW292.34 g/mol
LogP0.76
Rot. Bonds4

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

2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 71545736) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID71545736
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cn1cc(C2CCCCC2)nn1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H20N4O3/c19-13(15-11-6-7-21-14(11)20)9-18-8-12(16-17-18)10-4-2-1-3-5-10/h8,10-11H,1-7,9H2,(H,15,19)/t11-/m0/s1
InChIKeyJKIKKURMUIPGNM-NSHDSACASA-N
XLogP0.76
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 71545736) is 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(Cn1cc(C2CCCCC2)nn1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is JKIKKURMUIPGNM-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(15-11-6-7-21-14(11)20)9-18-8-12(16-17-18)10-4-2-1-3-5-10/h8,10-11H,1-7,9H2,(H,15,19)/t11-/m0/s1.
What are the key properties of 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 71545736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).