4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide

C24H18N2O3 — CID 89188391

IUPAC4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide
SMILESCc1onc(-c2ccccc2)c1-c1cccc(NC(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C24H18N2O3/c1-16-22(23(26-29-16)18-6-3-2-4-7-18)20-8-5-9-21(14-20)25-24(28)19-12-10-17(15-27)11-13-19/h2-15H,1H3,(H,25,28)
InChIKeyCGRYYTVXMDJJLS-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.38
Rot. Bonds5

About 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide

4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide (PubChem CID 89188391) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide
PubChem CID89188391
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide
SMILESCc1onc(-c2ccccc2)c1-c1cccc(NC(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C24H18N2O3/c1-16-22(23(26-29-16)18-6-3-2-4-7-18)20-8-5-9-21(14-20)25-24(28)19-12-10-17(15-27)11-13-19/h2-15H,1H3,(H,25,28)
InChIKeyCGRYYTVXMDJJLS-UHFFFAOYSA-N
XLogP5.38
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate
CID 134492042
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid
CID 67422146
methyl 5-[3-[[4-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate
CID 164610504
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyrazole-1-carboxamide
CID 2745590

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide (CID 89188391) is 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide is Cc1onc(-c2ccccc2)c1-c1cccc(NC(=O)c2ccc(C=O)cc2)c1.
What is the InChIKey of 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide?
The InChIKey is CGRYYTVXMDJJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-16-22(23(26-29-16)18-6-3-2-4-7-18)20-8-5-9-21(14-20)25-24(28)19-12-10-17(15-27)11-13-19/h2-15H,1H3,(H,25,28).
What are the key properties of 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide?
4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 89188391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).