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

C14H18F5N3O — CID 176759369

IUPAC5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESFC1(F)CCC(c2nc(C3(C(F)(F)F)CCNCC3)no2)CC1
InChIInChI=1S/C14H18F5N3O/c15-13(16)3-1-9(2-4-13)10-21-11(22-23-10)12(14(17,18)19)5-7-20-8-6-12/h9,20H,1-8H2
InChIKeyYPAKXODHGLTMNI-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.55
Rot. Bonds2

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

5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 176759369) has the molecular formula C14H18F5N3O and a molecular weight of 339.31 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID176759369
Molecular FormulaC14H18F5N3O
Molecular Weight339.31 g/mol
Exact Mass339.14
IUPAC Name5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESFC1(F)CCC(c2nc(C3(C(F)(F)F)CCNCC3)no2)CC1
InChIInChI=1S/C14H18F5N3O/c15-13(16)3-1-9(2-4-13)10-21-11(22-23-10)12(14(17,18)19)5-7-20-8-6-12/h9,20H,1-8H2
InChIKeyYPAKXODHGLTMNI-UHFFFAOYSA-N
XLogP3.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 176759369) is 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole is FC1(F)CCC(c2nc(C3(C(F)(F)F)CCNCC3)no2)CC1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is YPAKXODHGLTMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5N3O/c15-13(16)3-1-9(2-4-13)10-21-11(22-23-10)12(14(17,18)19)5-7-20-8-6-12/h9,20H,1-8H2.
What are the key properties of 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole?
5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 339.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-3-[4-(trifluoromethyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 176759369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).