N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide

C9H10N2O2 — CID 103579377

IUPACN-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide
SMILESC#CC(CC)NC(=O)c1ccon1
InChIInChI=1S/C9H10N2O2/c1-3-7(4-2)10-9(12)8-5-6-13-11-8/h1,5-7H,4H2,2H3,(H,10,12)
InChIKeyFCYGOVOJZVHDBD-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.82
Rot. Bonds3

About N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide

N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 103579377) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide
PubChem CID103579377
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide
SMILESC#CC(CC)NC(=O)c1ccon1
InChIInChI=1S/C9H10N2O2/c1-3-7(4-2)10-9(12)8-5-6-13-11-8/h1,5-7H,4H2,2H3,(H,10,12)
InChIKeyFCYGOVOJZVHDBD-UHFFFAOYSA-N
XLogP0.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide (CID 103579377) is N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide is C#CC(CC)NC(=O)c1ccon1.
What is the InChIKey of N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FCYGOVOJZVHDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-7(4-2)10-9(12)8-5-6-13-11-8/h1,5-7H,4H2,2H3,(H,10,12).
What are the key properties of N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide?
N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 103579377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).