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

C19H15NO4 — CID 2648489

IUPAC(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCC(=O)c1ccc(OC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C19H15NO4/c1-12(21)14-8-10-16(11-9-14)23-19(22)17-13(2)24-20-18(17)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeySCMHSZNJHFGABM-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.07
Rot. Bonds4

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

(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2648489) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2648489
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCC(=O)c1ccc(OC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C19H15NO4/c1-12(21)14-8-10-16(11-9-14)23-19(22)17-13(2)24-20-18(17)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeySCMHSZNJHFGABM-UHFFFAOYSA-N
XLogP4.07
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4240188
(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7901076
1,3-benzodioxol-5-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 3931353
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614298
(4-acetylphenyl) 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 9191795
(4-iodophenyl) 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2818681
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
CID 2803917
(1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2803466
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2648489) is (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is CC(=O)c1ccc(OC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is SCMHSZNJHFGABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12(21)14-8-10-16(11-9-14)23-19(22)17-13(2)24-20-18(17)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2648489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).