5-chloro-4-(3-fluorophenyl)-1,2-oxazole

C9H5ClFNO — CID 84667900

IUPAC5-chloro-4-(3-fluorophenyl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2Cl)c1
InChIInChI=1S/C9H5ClFNO/c10-9-8(5-12-13-9)6-2-1-3-7(11)4-6/h1-5H
InChIKeyVXNOGYBOUCFOMH-UHFFFAOYSA-N
MW197.60 g/mol
LogP3.13
Rot. Bonds1

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

5-chloro-4-(3-fluorophenyl)-1,2-oxazole (PubChem CID 84667900) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 5-chloro-4-(3-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-4-(3-fluorophenyl)-1,2-oxazole
PubChem CID84667900
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name5-chloro-4-(3-fluorophenyl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2Cl)c1
InChIInChI=1S/C9H5ClFNO/c10-9-8(5-12-13-9)6-2-1-3-7(11)4-6/h1-5H
InChIKeyVXNOGYBOUCFOMH-UHFFFAOYSA-N
XLogP3.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-(3-fluorophenyl)-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

5-bromo-4-(3-fluorophenyl)-1,2-oxazole
CID 84703029
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 105423308
4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 115038784
2-chloro-5-(3-fluorophenyl)-4-iodopyridine
CID 46311974
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423523
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
3,4-bis(3-fluorophenyl)pyridine
CID 46313677
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
CID 46312062
5-chloro-2-(3-fluorophenyl)-1H-imidazole
CID 55264125
2-chloro-5-(3-fluorophenyl)-3-methylpyridine
CID 46312013
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-fluorophenyl)-1,2-oxazole?
The IUPAC name of 5-chloro-4-(3-fluorophenyl)-1,2-oxazole (CID 84667900) is 5-chloro-4-(3-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-4-(3-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 5-chloro-4-(3-fluorophenyl)-1,2-oxazole is Fc1cccc(-c2cnoc2Cl)c1.
What is the InChIKey of 5-chloro-4-(3-fluorophenyl)-1,2-oxazole?
The InChIKey is VXNOGYBOUCFOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-9-8(5-12-13-9)6-2-1-3-7(11)4-6/h1-5H.
What are the key properties of 5-chloro-4-(3-fluorophenyl)-1,2-oxazole?
5-chloro-4-(3-fluorophenyl)-1,2-oxazole has a molecular weight of 197.60 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 84667900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).