N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C15H16N2O3 — CID 5308779

IUPACN-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C(C)C)on2)c1
InChIInChI=1S/C15H16N2O3/c1-9(2)14-8-13(17-20-14)15(19)16-12-6-4-5-11(7-12)10(3)18/h4-9H,1-3H3,(H,16,19)
InChIKeyJNKCZCNWALSZPM-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.25
Rot. Bonds4

About N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 5308779) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID5308779
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C(C)C)on2)c1
InChIInChI=1S/C15H16N2O3/c1-9(2)14-8-13(17-20-14)15(19)16-12-6-4-5-11(7-12)10(3)18/h4-9H,1-3H3,(H,16,19)
InChIKeyJNKCZCNWALSZPM-UHFFFAOYSA-N
XLogP3.25
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 5308779) is N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(C(C)C)on2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JNKCZCNWALSZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(2)14-8-13(17-20-14)15(19)16-12-6-4-5-11(7-12)10(3)18/h4-9H,1-3H3,(H,16,19).
What are the key properties of N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).