N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide

C17H18F3N3O4S — CID 55638263

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)no1
InChIInChI=1S/C17H18F3N3O4S/c1-11-10-15(22-27-11)21-16(24)12-6-8-23(9-7-12)13-4-2-3-5-14(13)28(25,26)17(18,19)20/h2-5,10,12H,6-9H2,1H3,(H,21,22,24)
InChIKeyMOWRDFCWWNCHCC-UHFFFAOYSA-N
MW417.41 g/mol
LogP3.13
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide (PubChem CID 55638263) has the molecular formula C17H18F3N3O4S and a molecular weight of 417.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide
PubChem CID55638263
Molecular FormulaC17H18F3N3O4S
Molecular Weight417.41 g/mol
Exact Mass417.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)no1
InChIInChI=1S/C17H18F3N3O4S/c1-11-10-15(22-27-11)21-16(24)12-6-8-23(9-7-12)13-4-2-3-5-14(13)28(25,26)17(18,19)20/h2-5,10,12H,6-9H2,1H3,(H,21,22,24)
InChIKeyMOWRDFCWWNCHCC-UHFFFAOYSA-N
XLogP3.13
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 94566097
1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133442836
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110349374
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32896788
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 17492321
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide
CID 109151153
N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071798
1-[2-(methylcarbamoyl)-4-nitrophenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305531
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
CID 51080556

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide (CID 55638263) is N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is MOWRDFCWWNCHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4S/c1-11-10-15(22-27-11)21-16(24)12-6-8-23(9-7-12)13-4-2-3-5-14(13)28(25,26)17(18,19)20/h2-5,10,12H,6-9H2,1H3,(H,21,22,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55638263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).