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

C13H18N4O3 — CID 71545735

IUPAC2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cn1cc(C2CCCC2)nn1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H18N4O3/c18-12(14-10-5-6-20-13(10)19)8-17-7-11(15-16-17)9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,14,18)/t10-/m0/s1
InChIKeyFTDJAEUSBIBRSM-JTQLQIEISA-N
MW278.31 g/mol
LogP0.37
Rot. Bonds4

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

2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 71545735) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID71545735
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cn1cc(C2CCCC2)nn1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H18N4O3/c18-12(14-10-5-6-20-13(10)19)8-17-7-11(15-16-17)9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,14,18)/t10-/m0/s1
InChIKeyFTDJAEUSBIBRSM-JTQLQIEISA-N
XLogP0.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide
CID 71539232
2-(4-butyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 71545576
2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 71545737
3-(4-Pentyltriazol-1-yl)oxolan-2-one
CID 70688653
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
WO2022104345, Example S22
CID 163303006
2-ethyl-N-[[1-[(3S)-2-oxooxolan-3-yl]triazol-4-yl]methyl]butanamide
CID 164630068
ethyl ({[4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]carbonyl}amino)acetate
CID 46983553
8-(1-butyltriazol-4-yl)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]octanamide
CID 162395812

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 71545735) is 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(Cn1cc(C2CCCC2)nn1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is FTDJAEUSBIBRSM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(14-10-5-6-20-13(10)19)8-17-7-11(15-16-17)9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,14,18)/t10-/m0/s1.
What are the key properties of 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyltriazol-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 71545735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).