N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H13F3N4O4S — CID 55864379

IUPACN-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4O4S/c1-11-15(10-24-30-11)18(27)25-13-4-7-17(16(8-13)19(20,21)22)26-31(28,29)14-5-2-12(9-23)3-6-14/h2-8,10,26H,1H3,(H,25,27)
InChIKeyARNXZWSEEPWGOE-UHFFFAOYSA-N
MW450.40 g/mol
LogP3.93
Rot. Bonds5

About N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 55864379) has the molecular formula C19H13F3N4O4S and a molecular weight of 450.40 g/mol. Its IUPAC name is N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID55864379
Molecular FormulaC19H13F3N4O4S
Molecular Weight450.40 g/mol
Exact Mass450.06
IUPAC NameN-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4O4S/c1-11-15(10-24-30-11)18(27)25-13-4-7-17(16(8-13)19(20,21)22)26-31(28,29)14-5-2-12(9-23)3-6-14/h2-8,10,26H,1H3,(H,25,27)
InChIKeyARNXZWSEEPWGOE-UHFFFAOYSA-N
XLogP3.93
TPSA125.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-carbamoylphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864760
N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864253
N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60588960
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689707
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
4-[[4-acetamido-2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 24591397
N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
CID 24591363
5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 12020031
N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689645
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 56582601
4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 155551960

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 55864379) is N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ARNXZWSEEPWGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O4S/c1-11-15(10-24-30-11)18(27)25-13-4-7-17(16(8-13)19(20,21)22)26-31(28,29)14-5-2-12(9-23)3-6-14/h2-8,10,26H,1H3,(H,25,27).
What are the key properties of N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 450.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55864379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).