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

C19H16F3N3O4S — CID 169307994

IUPAC5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnoc2C)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O4S/c1-11-8-14(24-18(26)16-10-23-29-12(16)2)6-7-17(11)30(27,28)25-15-5-3-4-13(9-15)19(20,21)22/h3-10,25H,1-2H3,(H,24,26)
InChIKeyKBMGVVSQEMIZEA-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.36
Rot. Bonds5

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

5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 169307994) has the molecular formula C19H16F3N3O4S and a molecular weight of 439.42 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID169307994
Molecular FormulaC19H16F3N3O4S
Molecular Weight439.42 g/mol
Exact Mass439.08
IUPAC Name5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnoc2C)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O4S/c1-11-8-14(24-18(26)16-10-23-29-12(16)2)6-7-17(11)30(27,28)25-15-5-3-4-13(9-15)19(20,21)22/h3-10,25H,1-2H3,(H,24,26)
InChIKeyKBMGVVSQEMIZEA-UHFFFAOYSA-N
XLogP4.36
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide (CID 169307994) is 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)c2cnoc2C)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is KBMGVVSQEMIZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S/c1-11-8-14(24-18(26)16-10-23-29-12(16)2)6-7-17(11)30(27,28)25-15-5-3-4-13(9-15)19(20,21)22/h3-10,25H,1-2H3,(H,24,26).
What are the key properties of 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 169307994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).