2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole

C19H22F3N3O — CID 176759248

IUPAC2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(C2(c3nnc(C4CCC(F)(F)CC4)o3)CCNCC2)cc1
InChIInChI=1S/C19H22F3N3O/c20-15-3-1-14(2-4-15)18(9-11-23-12-10-18)17-25-24-16(26-17)13-5-7-19(21,22)8-6-13/h1-4,13,23H,5-12H2
InChIKeyASAVJSYKEPAOSH-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.17
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole

2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 176759248) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID176759248
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(C2(c3nnc(C4CCC(F)(F)CC4)o3)CCNCC2)cc1
InChIInChI=1S/C19H22F3N3O/c20-15-3-1-14(2-4-15)18(9-11-23-12-10-18)17-25-24-16(26-17)13-5-7-19(21,22)8-6-13/h1-4,13,23H,5-12H2
InChIKeyASAVJSYKEPAOSH-UHFFFAOYSA-N
XLogP4.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole (CID 176759248) is 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole is Fc1ccc(C2(c3nnc(C4CCC(F)(F)CC4)o3)CCNCC2)cc1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is ASAVJSYKEPAOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c20-15-3-1-14(2-4-15)18(9-11-23-12-10-18)17-25-24-16(26-17)13-5-7-19(21,22)8-6-13/h1-4,13,23H,5-12H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole?
2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 365.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-5-[4-(4-fluorophenyl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 176759248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).