5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde

C12H11NO2 — CID 102543513

IUPAC5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde
SMILESCc1ccc(-c2cnc(C=O)o2)c(C)c1
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(9(2)5-8)11-6-13-12(7-14)15-11/h3-7H,1-2H3
InChIKeyUMNXXLKTWGFAHM-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.77
Rot. Bonds2

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

5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde (PubChem CID 102543513) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde
PubChem CID102543513
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde
SMILESCc1ccc(-c2cnc(C=O)o2)c(C)c1
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(9(2)5-8)11-6-13-12(7-14)15-11/h3-7H,1-2H3
InChIKeyUMNXXLKTWGFAHM-UHFFFAOYSA-N
XLogP2.77
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.77
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

2,5-bis(2,4-dimethylphenyl)furan
CID 69007867
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181259
5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde
CID 83821453
2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
CID 141095214
3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82113593
5-(2,4-dimethylphenyl)-1,3-oxathiol-2-one
CID 5325419
5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile
CID 121205126
2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
CID 172909442
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
CID 66161659
4-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbaldehyde
CID 83911949
2-amino-6-(2,4-dimethylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carbaldehyde
CID 59519212
4-bromo-5-(2,4-dimethylphenyl)-1-methylpyrazole;butane;ethane;formamide
CID 144929980

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde (CID 102543513) is 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde is Cc1ccc(-c2cnc(C=O)o2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde?
The InChIKey is UMNXXLKTWGFAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)5-8)11-6-13-12(7-14)15-11/h3-7H,1-2H3.
What are the key properties of 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde?
5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 102543513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).