5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C18H13F3N2O4S — CID 54571721

IUPAC5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCS(=O)(=O)c1ccccc1-c1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O4S/c1-28(25,26)15-5-3-2-4-13(15)16-14(10-22-27-16)17(24)23-12-8-6-11(7-9-12)18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKeyZXTKUDMVRSNRJF-UHFFFAOYSA-N
MW410.37 g/mol
LogP4.02
Rot. Bonds4

About 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 54571721) has the molecular formula C18H13F3N2O4S and a molecular weight of 410.37 g/mol. Its IUPAC name is 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID54571721
Molecular FormulaC18H13F3N2O4S
Molecular Weight410.37 g/mol
Exact Mass410.05
IUPAC Name5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCS(=O)(=O)c1ccccc1-c1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O4S/c1-28(25,26)15-5-3-2-4-13(15)16-14(10-22-27-16)17(24)23-12-8-6-11(7-9-12)18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKeyZXTKUDMVRSNRJF-UHFFFAOYSA-N
XLogP4.02
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 19439713
N-[4-(Trifluoromethyl)phenyl]-5-phenylisoxazole-4-carboxamide
CID 19439784
2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
CID 25177135
N,5-bis(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 53662539
5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 54488840
5-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 54503236
5-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 54545831
N-[4-(trifluoromethyl)phenyl]-5-undecyl-1,2-oxazole-4-carboxamide
CID 67841565
5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
CID 169307994
5-(2-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 175455139
N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 10620978
N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26180883

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 54571721) is 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is CS(=O)(=O)c1ccccc1-c1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZXTKUDMVRSNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4S/c1-28(25,26)15-5-3-2-4-13(15)16-14(10-22-27-16)17(24)23-12-8-6-11(7-9-12)18(19,20)21/h2-10H,1H3,(H,23,24).
What are the key properties of 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54571721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).