1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide

C16H16N4O4S — CID 139582393

IUPAC1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccccc2)oc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H16N4O4S/c17-10-13-16(24-15(19-13)12-4-2-1-3-5-12)25(22,23)20-8-6-11(7-9-20)14(18)21/h1-5,11H,6-9H2,(H2,18,21)
InChIKeyFCFMFUYXZOAUSO-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.10
Rot. Bonds4

About 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide

1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 139582393) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID139582393
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccccc2)oc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H16N4O4S/c17-10-13-16(24-15(19-13)12-4-2-1-3-5-12)25(22,23)20-8-6-11(7-9-20)14(18)21/h1-5,11H,6-9H2,(H2,18,21)
InChIKeyFCFMFUYXZOAUSO-UHFFFAOYSA-N
XLogP1.10
TPSA130.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfonyl]piperidine-4-carboxylate
CID 139583080
1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 4825656
2-(4-chlorophenyl)-5-(3-methylpiperidin-1-yl)sulfonyl-1,3-oxazole-4-carbonitrile
CID 139582251
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride
CID 171692068
1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
CID 664488
1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 3447007
5-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 91901005
1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide
CID 21004405
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 46688863
1-ethylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8891344
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide (CID 139582393) is 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is FCFMFUYXZOAUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c17-10-13-16(24-15(19-13)12-4-2-1-3-5-12)25(22,23)20-8-6-11(7-9-20)14(18)21/h1-5,11H,6-9H2,(H2,18,21).
What are the key properties of 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide?
1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 139582393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).