N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

C15H16F2N4O4S — CID 43972272

IUPACN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)CC1
InChIInChI=1S/C15H16F2N4O4S/c1-26(23,24)21-6-4-9(5-7-21)13(22)18-15-20-19-14(25-15)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7H2,1H3,(H,18,20,22)
InChIKeyRPJQECWIQXDOPE-UHFFFAOYSA-N
MW386.38 g/mol
LogP1.62
Rot. Bonds4

About N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 43972272) has the molecular formula C15H16F2N4O4S and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID43972272
Molecular FormulaC15H16F2N4O4S
Molecular Weight386.38 g/mol
Exact Mass386.09
IUPAC NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)CC1
InChIInChI=1S/C15H16F2N4O4S/c1-26(23,24)21-6-4-9(5-7-21)13(22)18-15-20-19-14(25-15)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7H2,1H3,(H,18,20,22)
InChIKeyRPJQECWIQXDOPE-UHFFFAOYSA-N
XLogP1.62
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43972271
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43972253
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977098
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16824114
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43972096
1-ethylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8891344
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 3251832
1-(4-fluorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 154724997
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 41100117
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 43972272) is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)CC1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is RPJQECWIQXDOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O4S/c1-26(23,24)21-6-4-9(5-7-21)13(22)18-15-20-19-14(25-15)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7H2,1H3,(H,18,20,22).
What are the key properties of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43972272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).