4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde

C12H11NO2 — CID 140507772

IUPAC4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde
SMILESCc1cc(C=O)c(-c2ccon2)cc1C
InChIInChI=1S/C12H11NO2/c1-8-5-10(7-14)11(6-9(8)2)12-3-4-15-13-12/h3-7H,1-2H3
InChIKeyHVBODVORDOHNEA-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.77
Rot. Bonds2

About 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde

4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde (PubChem CID 140507772) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde
PubChem CID140507772
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde
SMILESCc1cc(C=O)c(-c2ccon2)cc1C
InChIInChI=1S/C12H11NO2/c1-8-5-10(7-14)11(6-9(8)2)12-3-4-15-13-12/h3-7H,1-2H3
InChIKeyHVBODVORDOHNEA-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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde?
The IUPAC name of 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde (CID 140507772) is 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde.
What is the SMILES notation for 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde?
The canonical SMILES for 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde is Cc1cc(C=O)c(-c2ccon2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde?
The InChIKey is HVBODVORDOHNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-5-10(7-14)11(6-9(8)2)12-3-4-15-13-12/h3-7H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde?
4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde 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 4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde is sourced from PubChem (CID 140507772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).