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

C13H20N4O3 — CID 71539232

IUPACN-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide
SMILESCCCCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1
InChIInChI=1S/C13H20N4O3/c1-2-3-4-5-10-8-17(16-15-10)9-12(18)14-11-6-7-20-13(11)19/h8,11H,2-7,9H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeyGCAFVJMZHTVTJJ-NSHDSACASA-N
MW280.33 g/mol
LogP0.44
Rot. Bonds7

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

N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide (PubChem CID 71539232) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide
PubChem CID71539232
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide
SMILESCCCCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1
InChIInChI=1S/C13H20N4O3/c1-2-3-4-5-10-8-17(16-15-10)9-12(18)14-11-6-7-20-13(11)19/h8,11H,2-7,9H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeyGCAFVJMZHTVTJJ-NSHDSACASA-N
XLogP0.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
2-[4-(cyclohexylmethyl)triazol-1-yl]-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 71545737
3-(4-Hexyltriazol-1-yl)oxolan-2-one
CID 70682312
3-(4-Butyltriazol-1-yl)oxolan-2-one
CID 70688652
3-(4-Pentyltriazol-1-yl)oxolan-2-one
CID 70688653
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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide (CID 71539232) is N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide is CCCCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide?
The InChIKey is GCAFVJMZHTVTJJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-3-4-5-10-8-17(16-15-10)9-12(18)14-11-6-7-20-13(11)19/h8,11H,2-7,9H2,1H3,(H,14,18)/t11-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide?
N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-2-(4-pentyltriazol-1-yl)acetamide is sourced from PubChem (CID 71539232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).