2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide

C15H18N2O3 — CID 162653762

IUPAC2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide
SMILESCCCCCNC(=O)n1c(-c2ccccc2)coc1=O
InChIInChI=1S/C15H18N2O3/c1-2-3-7-10-16-14(18)17-13(11-20-15(17)19)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,18)
InChIKeyVJSKHRCPWKBVEO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.86
Rot. Bonds5

About 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide

2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide (PubChem CID 162653762) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide
PubChem CID162653762
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide
SMILESCCCCCNC(=O)n1c(-c2ccccc2)coc1=O
InChIInChI=1S/C15H18N2O3/c1-2-3-7-10-16-14(18)17-13(11-20-15(17)19)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,18)
InChIKeyVJSKHRCPWKBVEO-UHFFFAOYSA-N
XLogP2.86
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide?
The IUPAC name of 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide (CID 162653762) is 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide?
The canonical SMILES for 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide is CCCCCNC(=O)n1c(-c2ccccc2)coc1=O.
What is the InChIKey of 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide?
The InChIKey is VJSKHRCPWKBVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-3-7-10-16-14(18)17-13(11-20-15(17)19)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,18).
What are the key properties of 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide?
2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pentyl-4-phenyl-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162653762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).