3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde

C17H13NO3 — CID 132514539

IUPAC3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
SMILESCOc1ccccc1-c1noc(-c2ccccc2)c1C=O
InChIInChI=1S/C17H13NO3/c1-20-15-10-6-5-9-13(15)16-14(11-19)17(21-18-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyRQEJMBWAGXLROP-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.83
Rot. Bonds4

About 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde

3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde (PubChem CID 132514539) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
PubChem CID132514539
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
SMILESCOc1ccccc1-c1noc(-c2ccccc2)c1C=O
InChIInChI=1S/C17H13NO3/c1-20-15-10-6-5-9-13(15)16-14(11-19)17(21-18-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyRQEJMBWAGXLROP-UHFFFAOYSA-N
XLogP3.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82127138
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
4-(2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 130439183
[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868139
3-(3,4,5-trimethoxyphenyl)benzo[f][1,2]benzoxazole-4,9-dione
CID 165015625
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7446909
[5-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867266
5-(4-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198769
2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
CID 83918138
[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935
3-(2-methoxyphenyl)benzoic acid
CID 2759547

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde (CID 132514539) is 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde is COc1ccccc1-c1noc(-c2ccccc2)c1C=O.
What is the InChIKey of 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is RQEJMBWAGXLROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-15-10-6-5-9-13(15)16-14(11-19)17(21-18-16)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde?
3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 279.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 132514539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).