2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide

C12H10F3N3O4S — CID 167747929

IUPAC2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C)o1
InChIInChI=1S/C12H10F3N3O4S/c1-6-10(17-7(2)22-6)11(19)18-23(20,21)8-3-4-9(16-5-8)12(13,14)15/h3-5H,1-2H3,(H,18,19)
InChIKeyWUJGMKBHMUWATP-UHFFFAOYSA-N
MW349.29 g/mol
LogP1.82
Rot. Bonds3

About 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide (PubChem CID 167747929) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide
PubChem CID167747929
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC Name2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C)o1
InChIInChI=1S/C12H10F3N3O4S/c1-6-10(17-7(2)22-6)11(19)18-23(20,21)8-3-4-9(16-5-8)12(13,14)15/h3-5H,1-2H3,(H,18,19)
InChIKeyWUJGMKBHMUWATP-UHFFFAOYSA-N
XLogP1.82
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide (CID 167747929) is 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WUJGMKBHMUWATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c1-6-10(17-7(2)22-6)11(19)18-23(20,21)8-3-4-9(16-5-8)12(13,14)15/h3-5H,1-2H3,(H,18,19).
What are the key properties of 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide has a molecular weight of 349.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167747929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).