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

C12H12ClNO2 — CID 12527052

IUPAC5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde
SMILESCC1(C)COC(c2ccc(Cl)cc2C=O)=N1
InChIInChI=1S/C12H12ClNO2/c1-12(2)7-16-11(14-12)10-4-3-9(13)5-8(10)6-15/h3-6H,7H2,1-2H3
InChIKeyAYUIAKBVMWPHOM-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.71
Rot. Bonds2

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

5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde (PubChem CID 12527052) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde
PubChem CID12527052
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde
SMILESCC1(C)COC(c2ccc(Cl)cc2C=O)=N1
InChIInChI=1S/C12H12ClNO2/c1-12(2)7-16-11(14-12)10-4-3-9(13)5-8(10)6-15/h3-6H,7H2,1-2H3
InChIKeyAYUIAKBVMWPHOM-UHFFFAOYSA-N
XLogP2.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde (CID 12527052) is 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde is CC1(C)COC(c2ccc(Cl)cc2C=O)=N1.
What is the InChIKey of 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde?
The InChIKey is AYUIAKBVMWPHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-12(2)7-16-11(14-12)10-4-3-9(13)5-8(10)6-15/h3-6H,7H2,1-2H3.
What are the key properties of 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde?
5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde has a molecular weight of 237.69 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde is sourced from PubChem (CID 12527052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).