3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one

C16H16ClF3N2O2 — CID 135368836

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2c(F)cccc2Cl)n1CC1CCC(F)(F)CC1
InChIInChI=1S/C16H16ClF3N2O2/c17-12-2-1-3-13(18)11(12)8-14-21-24-15(23)22(14)9-10-4-6-16(19,20)7-5-10/h1-3,10H,4-9H2
InChIKeyJWCZRBZHJMNWJP-UHFFFAOYSA-N
MW360.76 g/mol
LogP4.05
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one

3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135368836) has the molecular formula C16H16ClF3N2O2 and a molecular weight of 360.76 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135368836
Molecular FormulaC16H16ClF3N2O2
Molecular Weight360.76 g/mol
Exact Mass360.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2c(F)cccc2Cl)n1CC1CCC(F)(F)CC1
InChIInChI=1S/C16H16ClF3N2O2/c17-12-2-1-3-13(18)11(12)8-14-21-24-15(23)22(14)9-10-4-6-16(19,20)7-5-10/h1-3,10H,4-9H2
InChIKeyJWCZRBZHJMNWJP-UHFFFAOYSA-N
XLogP4.05
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one 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-[(2-Chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-thiadiazol-5-one
CID 135368859
3-[(2-Chloro-6-fluorophenyl)methyl]-4-(cycloheptylmethyl)-1,2,4-oxadiazol-5-one
CID 135369013
4-(2-Bicyclo[2.2.1]heptanylmethyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135369052
3-[(2-Chlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
CID 135371039
3-[(2-Chloro-6-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-5-one
CID 142465565
3-[(2,4-Dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
CID 142465585
3-[(2-Chloro-6-fluorophenyl)methyl]-4-[(4,4-difluoro-2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one
CID 172456259
4-But-2-ynyl-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368832
3-[(2-Chloro-6-fluorophenyl)methyl]-4-(cyclohexylmethyl)-1,2,4-thiadiazol-5-one
CID 135368833
4-[(2,3-Dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368834
4-Benzyl-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368835
3-[2-(2-Chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368839

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one (CID 135368836) is 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(Cc2c(F)cccc2Cl)n1CC1CCC(F)(F)CC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is JWCZRBZHJMNWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O2/c17-12-2-1-3-13(18)11(12)8-14-21-24-15(23)22(14)9-10-4-6-16(19,20)7-5-10/h1-3,10H,4-9H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 360.76 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).