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

C22H18F2N4O3 — CID 135349184

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccon2)c1
InChIInChI=1S/C22H18F2N4O3/c23-15-2-4-21(17(24)12-15)31-16-5-8-28(9-6-16)20-3-1-14(13-25)11-19(20)26-22(29)18-7-10-30-27-18/h1-4,7,10-12,16H,5-6,8-9H2,(H,26,29)
InChIKeyIEOZTTSQUYKZNU-UHFFFAOYSA-N
MW424.41 g/mol
LogP4.12
Rot. Bonds5

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

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 135349184) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID135349184
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccon2)c1
InChIInChI=1S/C22H18F2N4O3/c23-15-2-4-21(17(24)12-15)31-16-5-8-28(9-6-16)20-3-1-14(13-25)11-19(20)26-22(29)18-7-10-30-27-18/h1-4,7,10-12,16H,5-6,8-9H2,(H,26,29)
InChIKeyIEOZTTSQUYKZNU-UHFFFAOYSA-N
XLogP4.12
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide (CID 135349184) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide is N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccon2)c1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IEOZTTSQUYKZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c23-15-2-4-21(17(24)12-15)31-16-5-8-28(9-6-16)20-3-1-14(13-25)11-19(20)26-22(29)18-7-10-30-27-18/h1-4,7,10-12,16H,5-6,8-9H2,(H,26,29).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-oxazole-3-carboxamide is sourced from PubChem (CID 135349184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).