N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide

C17H21FN4O4S — CID 9190179

IUPACN-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1nnc(S(=O)(=O)Cc2ccccc2F)o1)N1CCCCC1
InChIInChI=1S/C17H21FN4O4S/c18-14-7-3-2-6-13(14)12-27(24,25)17-21-20-15(26-17)8-9-19-16(23)22-10-4-1-5-11-22/h2-3,6-7H,1,4-5,8-12H2,(H,19,23)
InChIKeyWLAIJCPQRXAHLG-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.92
Rot. Bonds6

About N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide

N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide (PubChem CID 9190179) has the molecular formula C17H21FN4O4S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
PubChem CID9190179
Molecular FormulaC17H21FN4O4S
Molecular Weight396.44 g/mol
Exact Mass396.13
IUPAC NameN-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1nnc(S(=O)(=O)Cc2ccccc2F)o1)N1CCCCC1
InChIInChI=1S/C17H21FN4O4S/c18-14-7-3-2-6-13(14)12-27(24,25)17-21-20-15(26-17)8-9-19-16(23)22-10-4-1-5-11-22/h2-3,6-7H,1,4-5,8-12H2,(H,19,23)
InChIKeyWLAIJCPQRXAHLG-UHFFFAOYSA-N
XLogP1.92
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 9190539
N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide
CID 9189905
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
CID 9190213
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 9189999
N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
CID 9189520
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109024
N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide
CID 9190388
N-[2-(2-fluorophenyl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87000022

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide (CID 9190179) is N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide is O=C(NCCc1nnc(S(=O)(=O)Cc2ccccc2F)o1)N1CCCCC1.
What is the InChIKey of N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is WLAIJCPQRXAHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4S/c18-14-7-3-2-6-13(14)12-27(24,25)17-21-20-15(26-17)8-9-19-16(23)22-10-4-1-5-11-22/h2-3,6-7H,1,4-5,8-12H2,(H,19,23).
What are the key properties of N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide?
N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 9190179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).