N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide

C20H24F2N4O2 — CID 162651785

IUPACN-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H24F2N4O2/c21-13-6-7-16(17(22)12-13)20-24-18(25-28-20)19(27)23-14-8-10-26(11-9-14)15-4-2-1-3-5-15/h6-7,12,14-15H,1-5,8-11H2,(H,23,27)
InChIKeyNDWHZYVXEYFGHC-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.54
Rot. Bonds4

About N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide

N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 162651785) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID162651785
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H24F2N4O2/c21-13-6-7-16(17(22)12-13)20-24-18(25-28-20)19(27)23-14-8-10-26(11-9-14)15-4-2-1-3-5-15/h6-7,12,14-15H,1-5,8-11H2,(H,23,27)
InChIKeyNDWHZYVXEYFGHC-UHFFFAOYSA-N
XLogP3.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide (CID 162651785) is N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CCN(C2CCCCC2)CC1)c1noc(-c2ccc(F)cc2F)n1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NDWHZYVXEYFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c21-13-6-7-16(17(22)12-13)20-24-18(25-28-20)19(27)23-14-8-10-26(11-9-14)15-4-2-1-3-5-15/h6-7,12,14-15H,1-5,8-11H2,(H,23,27).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide?
N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 390.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 162651785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).