1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one

C12H16F2N2O2 — CID 55202201

IUPAC1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC1CCC(c2noc(CC(=O)C(F)F)n2)CC1
InChIInChI=1S/C12H16F2N2O2/c1-7-2-4-8(5-3-7)12-15-10(18-16-12)6-9(17)11(13)14/h7-8,11H,2-6H2,1H3
InChIKeyWNFPGBFRPRNCNB-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.74
Rot. Bonds4

About 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one

1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 55202201) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID55202201
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC1CCC(c2noc(CC(=O)C(F)F)n2)CC1
InChIInChI=1S/C12H16F2N2O2/c1-7-2-4-8(5-3-7)12-15-10(18-16-12)6-9(17)11(13)14/h7-8,11H,2-6H2,1H3
InChIKeyWNFPGBFRPRNCNB-UHFFFAOYSA-N
XLogP2.74
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 55202201) is 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one is CC1CCC(c2noc(CC(=O)C(F)F)n2)CC1.
What is the InChIKey of 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is WNFPGBFRPRNCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7-2-4-8(5-3-7)12-15-10(18-16-12)6-9(17)11(13)14/h7-8,11H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 258.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 55202201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).