5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole

C10H7ClFNO — CID 80646398

IUPAC5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(Cl)on2)cc1F
InChIInChI=1S/C10H7ClFNO/c1-6-2-3-7(4-8(6)12)9-5-10(11)14-13-9/h2-5H,1H3
InChIKeyIHZSQRGEHXOJBL-UHFFFAOYSA-N
MW211.62 g/mol
LogP3.44
Rot. Bonds1

About 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole

5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole (PubChem CID 80646398) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole
PubChem CID80646398
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(Cl)on2)cc1F
InChIInChI=1S/C10H7ClFNO/c1-6-2-3-7(4-8(6)12)9-5-10(11)14-13-9/h2-5H,1H3
InChIKeyIHZSQRGEHXOJBL-UHFFFAOYSA-N
XLogP3.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-(3-fluoro-4-methylphenyl)-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

3-chloro-5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112572130
3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374650
5-chloro-3-(4-iodophenyl)-1,2-oxazole
CID 18612669
5-chloro-3-(5-chloro-1,2-oxazol-3-yl)-1,2-oxazole
CID 102102777
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole
CID 70025609
3-(5-chloro-1,2-oxazol-3-yl)phenol
CID 84666521
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
5-chloro-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole
CID 80645898
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine
CID 106818757

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole (CID 80646398) is 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole is Cc1ccc(-c2cc(Cl)on2)cc1F.
What is the InChIKey of 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole?
The InChIKey is IHZSQRGEHXOJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-6-2-3-7(4-8(6)12)9-5-10(11)14-13-9/h2-5H,1H3.
What are the key properties of 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole?
5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole has a molecular weight of 211.62 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 80646398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).