4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde

C17H15NO2 — CID 58473783

IUPAC4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde
SMILESCC1(c2ccccc2)CC(c2ccc(C=O)cc2)=NO1
InChIInChI=1S/C17H15NO2/c1-17(15-5-3-2-4-6-15)11-16(18-20-17)14-9-7-13(12-19)8-10-14/h2-10,12H,11H2,1H3
InChIKeyIVJSULKLHCRZOB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.54
Rot. Bonds3

About 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde

4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde (PubChem CID 58473783) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde
PubChem CID58473783
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde
SMILESCC1(c2ccccc2)CC(c2ccc(C=O)cc2)=NO1
InChIInChI=1S/C17H15NO2/c1-17(15-5-3-2-4-6-15)11-16(18-20-17)14-9-7-13(12-19)8-10-14/h2-10,12H,11H2,1H3
InChIKeyIVJSULKLHCRZOB-UHFFFAOYSA-N
XLogP3.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Propan-2-ylideneamino) 4-phenylbenzoate
CID 702521
(4-fluorophenyl)({[(1Z)-1-(4-methylphenyl)ethylidene]amino}oxy)methanone
CID 5396251
Acetophenone o-benzoyloxime
CID 5900887
1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime)
CID 86537
10-Phenylmethoxyiminoanthracen-9-one
CID 46855323
Ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 25270953
Acetophenone, 2'-(3,5-diphenyl-2-isoxazolin-5-yl)-
CID 613689
Xeppcvkkxlbyar-uhfffaoysa-
CID 13334008
[(E)-1-(3,4-difluorophenyl)ethylideneamino] 4-tert-butylbenzoate
CID 9583123
1-(4-Fluorophenyl)-2-[5-(4-fluorophenyl)-4,5-dihydro-3-isoxazolyl]-ethanone
CID 129799955
4-Fluorobenzoic acid [1-(4-methylphenyl)ethylideneamino] ester
CID 708192
[(E)-1-(4-methylphenyl)ethylideneamino] 4-fluorobenzoate
CID 5752456

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde?
The IUPAC name of 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde (CID 58473783) is 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde.
What is the SMILES notation for 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde?
The canonical SMILES for 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde is CC1(c2ccccc2)CC(c2ccc(C=O)cc2)=NO1.
What is the InChIKey of 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde?
The InChIKey is IVJSULKLHCRZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-17(15-5-3-2-4-6-15)11-16(18-20-17)14-9-7-13(12-19)8-10-14/h2-10,12H,11H2,1H3.
What are the key properties of 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde?
4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde has a molecular weight of 265.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde is sourced from PubChem (CID 58473783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).