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

C18H14F3N3O4S — CID 52689707

IUPAC5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H14F3N3O4S/c1-11-16(10-22-28-11)17(25)23-13-5-7-14(8-6-13)24-29(26,27)15-4-2-3-12(9-15)18(19,20)21/h2-10,24H,1H3,(H,23,25)
InChIKeyAVGOCVHVZZGGRX-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.05
Rot. Bonds5

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

5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 52689707) has the molecular formula C18H14F3N3O4S and a molecular weight of 425.39 g/mol. Its IUPAC name is 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID52689707
Molecular FormulaC18H14F3N3O4S
Molecular Weight425.39 g/mol
Exact Mass425.07
IUPAC Name5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H14F3N3O4S/c1-11-16(10-22-28-11)17(25)23-13-5-7-14(8-6-13)24-29(26,27)15-4-2-3-12(9-15)18(19,20)21/h2-10,24H,1H3,(H,23,25)
InChIKeyAVGOCVHVZZGGRX-UHFFFAOYSA-N
XLogP4.05
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 56582601
N-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579060
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
5-methyl-N-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689679
N-[4-[(4-carbamoylphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864760
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864379
N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 86934831

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide (CID 52689707) is 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is AVGOCVHVZZGGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4S/c1-11-16(10-22-28-11)17(25)23-13-5-7-14(8-6-13)24-29(26,27)15-4-2-3-12(9-15)18(19,20)21/h2-10,24H,1H3,(H,23,25).
What are the key properties of 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 52689707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).