3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole

C12H10ClFN2O — CID 165487010

IUPAC3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCC3)n2)cc1Cl
InChIInChI=1S/C12H10ClFN2O/c13-9-6-8(4-5-10(9)14)11-15-12(17-16-11)7-2-1-3-7/h4-7H,1-3H2
InChIKeyXPSVBPHLSLGFFC-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.80
Rot. Bonds2

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

3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole (PubChem CID 165487010) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
PubChem CID165487010
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCC3)n2)cc1Cl
InChIInChI=1S/C12H10ClFN2O/c13-9-6-8(4-5-10(9)14)11-15-12(17-16-11)7-2-1-3-7/h4-7H,1-3H2
InChIKeyXPSVBPHLSLGFFC-UHFFFAOYSA-N
XLogP3.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole 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-(3-chloro-4-fluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743414
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 95733033
3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 59556697
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780643
5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2781838
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
3-(4-fluoro-3-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 54933319
[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 63092258
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 82787758

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole (CID 165487010) is 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCC3)n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole?
The InChIKey is XPSVBPHLSLGFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-9-6-8(4-5-10(9)14)11-15-12(17-16-11)7-2-1-3-7/h4-7H,1-3H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole?
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole has a molecular weight of 252.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole is sourced from PubChem (CID 165487010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).