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

C12H11NO3 — CID 82127138

IUPAC5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
SMILESCOc1ccccc1-c1onc(C)c1C=O
InChIInChI=1S/C12H11NO3/c1-8-10(7-14)12(16-13-8)9-5-3-4-6-11(9)15-2/h3-7H,1-2H3
InChIKeyFPUMZBNAPJGVOM-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.47
Rot. Bonds3

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

5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde (PubChem CID 82127138) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
PubChem CID82127138
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
SMILESCOc1ccccc1-c1onc(C)c1C=O
InChIInChI=1S/C12H11NO3/c1-8-10(7-14)12(16-13-8)9-5-3-4-6-11(9)15-2/h3-7H,1-2H3
InChIKeyFPUMZBNAPJGVOM-UHFFFAOYSA-N
XLogP2.47
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.47
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-(2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82130831
3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
CID 132514539
3-[5-(2-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302130
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-[2-(2-methoxyphenyl)phenyl]benzenesulfonamide
CID 23445559
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 46096857
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096874
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 22831688
5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46096877
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde (CID 82127138) is 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde is COc1ccccc1-c1onc(C)c1C=O.
What is the InChIKey of 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is FPUMZBNAPJGVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-10(7-14)12(16-13-8)9-5-3-4-6-11(9)15-2/h3-7H,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde?
5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 217.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 82127138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).