N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide

C21H17F2N5O3 — CID 135349251

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cnon2)c1
InChIInChI=1S/C21H17F2N5O3/c22-14-2-4-20(16(23)10-14)30-15-5-7-28(8-6-15)19-3-1-13(11-24)9-17(19)26-21(29)18-12-25-31-27-18/h1-4,9-10,12,15H,5-8H2,(H,26,29)
InChIKeyARUGJFXQTOMZQI-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.52
Rot. Bonds5

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 135349251) has the molecular formula C21H17F2N5O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID135349251
Molecular FormulaC21H17F2N5O3
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cnon2)c1
InChIInChI=1S/C21H17F2N5O3/c22-14-2-4-20(16(23)10-14)30-15-5-7-28(8-6-15)19-3-1-13(11-24)9-17(19)26-21(29)18-12-25-31-27-18/h1-4,9-10,12,15H,5-8H2,(H,26,29)
InChIKeyARUGJFXQTOMZQI-UHFFFAOYSA-N
XLogP3.52
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 135349173
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
CID 135349184
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
CID 135349196
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1-methylimidazole-4-carboxamide
CID 135349303
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 148777956
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-methylpyrazine-2-carboxamide
CID 149759858
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3-methylpyrazine-2-carboxamide
CID 149975672
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 150577755
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1-methyltriazole-4-carboxamide
CID 150610150
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-dimethylpyrazine-2-carboxamide
CID 151002584
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methoxypyrazine-2-carboxamide
CID 151597598
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-6-methylpyrazine-2-carboxamide
CID 151869043

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 135349251) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide is N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cnon2)c1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ARUGJFXQTOMZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O3/c22-14-2-4-20(16(23)10-14)30-15-5-7-28(8-6-15)19-3-1-13(11-24)9-17(19)26-21(29)18-12-25-31-27-18/h1-4,9-10,12,15H,5-8H2,(H,26,29).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 135349251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).