4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole

C13H14ClNO — CID 143541732

IUPAC4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
SMILESCCc1ccc(-c2c(C)noc2C)cc1Cl
InChIInChI=1S/C13H14ClNO/c1-4-10-5-6-11(7-12(10)14)13-8(2)15-16-9(13)3/h5-7H,4H2,1-3H3
InChIKeyMOPKFABOURFVDF-UHFFFAOYSA-N
MW235.71 g/mol
LogP4.17
Rot. Bonds2

About 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole

4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 143541732) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
PubChem CID143541732
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
SMILESCCc1ccc(-c2c(C)noc2C)cc1Cl
InChIInChI=1S/C13H14ClNO/c1-4-10-5-6-11(7-12(10)14)13-8(2)15-16-9(13)3/h5-7H,4H2,1-3H3
InChIKeyMOPKFABOURFVDF-UHFFFAOYSA-N
XLogP4.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234436
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
7-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalen-1-ol
CID 155969514
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methylphenyl)methyl]benzoate
CID 147155433

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole (CID 143541732) is 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole is CCc1ccc(-c2c(C)noc2C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is MOPKFABOURFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-4-10-5-6-11(7-12(10)14)13-8(2)15-16-9(13)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole?
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 235.71 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 143541732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).