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'}

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Related Compounds

(4-Chloro-phenyl)-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-methanone
CID 10358236
(4-chlorophenyl)-[4-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanone
CID 384079
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde
CID 86617888
1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-1-one
CID 10633282
2-(5-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14197409
2-(4-chloro-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 11356522
1-[4-chloro-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]octadecan-1-one
CID 20406892
1-[3-chloro-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]octadecan-1-one
CID 20406894
2-(4,5-Dihydro-1,3-oxazol-2-yl)benzaldehyde
CID 54246867
1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-methoxypentan-1-one
CID 59364356
4-Chloro-3-(2-methyl-1-phenylmethoxypropan-2-yl)imino-2-benzofuran-1-one
CID 67176192
Benzyl 2-[(7-chloro-3-oxo-2-benzofuran-1-ylidene)amino]-2-methylpropanoate
CID 67176563

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).