3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one

C11H14F2N2O2 — CID 55202191

IUPAC3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
SMILESO=C(Cc1nc(C2CCCCC2)no1)C(F)F
InChIInChI=1S/C11H14F2N2O2/c12-10(13)8(16)6-9-14-11(15-17-9)7-4-2-1-3-5-7/h7,10H,1-6H2
InChIKeyONTTVZBZNFAELD-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.49
Rot. Bonds4

About 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one

3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one (PubChem CID 55202191) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
PubChem CID55202191
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
SMILESO=C(Cc1nc(C2CCCCC2)no1)C(F)F
InChIInChI=1S/C11H14F2N2O2/c12-10(13)8(16)6-9-14-11(15-17-9)7-4-2-1-3-5-7/h7,10H,1-6H2
InChIKeyONTTVZBZNFAELD-UHFFFAOYSA-N
XLogP2.49
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-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 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The IUPAC name of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one (CID 55202191) is 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one.
What is the SMILES notation for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The canonical SMILES for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one is O=C(Cc1nc(C2CCCCC2)no1)C(F)F.
What is the InChIKey of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The InChIKey is ONTTVZBZNFAELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-10(13)8(16)6-9-14-11(15-17-9)7-4-2-1-3-5-7/h7,10H,1-6H2.
What are the key properties of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one has a molecular weight of 244.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one is sourced from PubChem (CID 55202191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).