N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

C19H16N2O3 — CID 4879671

IUPACN-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C19H16N2O3/c1-12(22)15-9-6-10-16(11-15)20-18(23)17-13(2)24-19(21-17)14-7-4-3-5-8-14/h3-11H,1-2H3,(H,20,23)
InChIKeyVLQSBEPQVNDRAV-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.10
Rot. Bonds4

About N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 4879671) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID4879671
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C19H16N2O3/c1-12(22)15-9-6-10-16(11-15)20-18(23)17-13(2)24-19(21-17)14-7-4-3-5-8-14/h3-11H,1-2H3,(H,20,23)
InChIKeyVLQSBEPQVNDRAV-UHFFFAOYSA-N
XLogP4.10
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.10
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-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 4879671) is N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is VLQSBEPQVNDRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12(22)15-9-6-10-16(11-15)20-18(23)17-13(2)24-19(21-17)14-7-4-3-5-8-14/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-(3-acetylphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 4.10, 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-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4879671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).