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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Related Compounds

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CID 122153243
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CID 69206132
CID 69206132
CID 122546481
CID 122546481
CID 129052705
CID 129052705
CID 137446585
CID 137446585
CID 144464876
CID 144464876
CID 144464994
CID 144464994
CID 50913514
CID 50913514
CID 74235019
CID 74235019

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).