3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole

C16H25F2N3O — CID 176759395

IUPAC3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2nc(C3CCC(F)(F)CC3)no2)CCNCC1
InChIInChI=1S/C16H25F2N3O/c1-11(2)15(7-9-19-10-8-15)14-20-13(21-22-14)12-3-5-16(17,18)6-4-12/h11-12,19H,3-10H2,1-2H3
InChIKeyZBZYJZHWCXHCCQ-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.64
Rot. Bonds3

About 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole

3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 176759395) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID176759395
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2nc(C3CCC(F)(F)CC3)no2)CCNCC1
InChIInChI=1S/C16H25F2N3O/c1-11(2)15(7-9-19-10-8-15)14-20-13(21-22-14)12-3-5-16(17,18)6-4-12/h11-12,19H,3-10H2,1-2H3
InChIKeyZBZYJZHWCXHCCQ-UHFFFAOYSA-N
XLogP3.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
CID 176759294
3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126024
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole
CID 128848142
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
tert-butyl 4-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylpiperidine-1-carboxylate
CID 170621567
5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 81451840
3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63709985
5-[4-(2-methoxyethyl)piperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 138039510

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 176759395) is 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole is CC(C)C1(c2nc(C3CCC(F)(F)CC3)no2)CCNCC1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is ZBZYJZHWCXHCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-11(2)15(7-9-19-10-8-15)14-20-13(21-22-14)12-3-5-16(17,18)6-4-12/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 313.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 176759395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).