N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide

C18H15F3N4O4S — CID 2037235

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3ccccc3)cc(C(F)(F)F)n2)no1
InChIInChI=1S/C18H15F3N4O4S/c1-11-9-15(25-29-11)24-16(26)7-8-30(27,28)17-22-13(12-5-3-2-4-6-12)10-14(23-17)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H,24,25,26)
InChIKeyHHILJTUDCGEUBW-UHFFFAOYSA-N
MW440.40 g/mol
LogP3.26
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide (PubChem CID 2037235) has the molecular formula C18H15F3N4O4S and a molecular weight of 440.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide
PubChem CID2037235
Molecular FormulaC18H15F3N4O4S
Molecular Weight440.40 g/mol
Exact Mass440.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3ccccc3)cc(C(F)(F)F)n2)no1
InChIInChI=1S/C18H15F3N4O4S/c1-11-9-15(25-29-11)24-16(26)7-8-30(27,28)17-22-13(12-5-3-2-4-6-12)10-14(23-17)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H,24,25,26)
InChIKeyHHILJTUDCGEUBW-UHFFFAOYSA-N
XLogP3.26
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methylisoxazol-3-yl)-2-(4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-ylthio)acetamide
CID 656360
2-[2-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651643
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
CID 1442803
4-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)butanamide
CID 3239269
N-(5-methylisoxazol-3-yl)-4-{[4-thien-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
CID 3245634
Acetamide,2-[[2-(tert-butyl)-4-quinazolinyl]thio]-N-(5-methyl-3-isoxazolyl)-
CID 1442423
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide
CID 2130230
N-(5-methyl-3-isoxazolyl)-3-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl}propanamide
CID 2237010
N-(5-Methylisoxazol-3-yl)-2-((4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanamide
CID 3145628
2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1036944
2-((4-(4-Fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 993306

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide (CID 2037235) is N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide is Cc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3ccccc3)cc(C(F)(F)F)n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide?
The InChIKey is HHILJTUDCGEUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4S/c1-11-9-15(25-29-11)24-16(26)7-8-30(27,28)17-22-13(12-5-3-2-4-6-12)10-14(23-17)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H,24,25,26).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide has a molecular weight of 440.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide is sourced from PubChem (CID 2037235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).