2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C26H28F3N3O4S — CID 51361506

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)oc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H28F3N3O4S/c1-2-3-14-30-24(33)22-23(19-8-7-9-20(17-19)26(27,28)29)36-25(31-22)18-12-15-32(16-13-18)37(34,35)21-10-5-4-6-11-21/h4-11,17-18H,2-3,12-16H2,1H3,(H,30,33)
InChIKeySNCFHOIHBNHVSE-UHFFFAOYSA-N
MW535.59 g/mol
LogP5.46
Rot. Bonds8

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 51361506) has the molecular formula C26H28F3N3O4S and a molecular weight of 535.59 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID51361506
Molecular FormulaC26H28F3N3O4S
Molecular Weight535.59 g/mol
Exact Mass535.18
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)oc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H28F3N3O4S/c1-2-3-14-30-24(33)22-23(19-8-7-9-20(17-19)26(27,28)29)36-25(31-22)18-12-15-32(16-13-18)37(34,35)21-10-5-4-6-11-21/h4-11,17-18H,2-3,12-16H2,1H3,(H,30,33)
InChIKeySNCFHOIHBNHVSE-UHFFFAOYSA-N
XLogP5.46
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.59
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 53382913
N-butyl-2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 53382912
N-(3-methoxypropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24686101
1-butyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxyurea
CID 76710604
N-pentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8689381
1-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803251
2-[5-[1-(benzenesulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-butylacetamide
CID 146087662
N-butyl-6,7-dimethyl-3-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 71729449
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-pentylguanidine
CID 111128795
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxyheptan-2-one
CID 58235410
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
CID 78780067

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 51361506) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)oc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SNCFHOIHBNHVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O4S/c1-2-3-14-30-24(33)22-23(19-8-7-9-20(17-19)26(27,28)29)36-25(31-22)18-12-15-32(16-13-18)37(34,35)21-10-5-4-6-11-21/h4-11,17-18H,2-3,12-16H2,1H3,(H,30,33).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 535.59 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-butyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51361506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).