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

C24H17NO4 — CID 4240188

IUPAC(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H17NO4/c1-16-21(22(25-29-16)17-8-4-2-5-9-17)24(27)28-20-14-12-19(13-15-20)23(26)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyOAWVZQYTIOUANZ-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.10
Rot. Bonds5

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

(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 4240188) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID4240188
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H17NO4/c1-16-21(22(25-29-16)17-8-4-2-5-9-17)24(27)28-20-14-12-19(13-15-20)23(26)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyOAWVZQYTIOUANZ-UHFFFAOYSA-N
XLogP5.10
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.10
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-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2648489
(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-benzoylphenyl) 2-methylfuran-3-carboxylate
CID 9115841
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
(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

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 4240188) is (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is OAWVZQYTIOUANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c1-16-21(22(25-29-16)17-8-4-2-5-9-17)24(27)28-20-14-12-19(13-15-20)23(26)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4240188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).