3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide

C12H11F3N2O4S — CID 7400961

IUPAC3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O4S/c1-7-11(8(2)21-16-7)22(18,19)17-9-3-5-10(6-4-9)20-12(13,14)15/h3-6,17H,1-2H3
InChIKeyMOZRFULUVTVHJZ-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.99
Rot. Bonds4

About 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 7400961) has the molecular formula C12H11F3N2O4S and a molecular weight of 336.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide
PubChem CID7400961
Molecular FormulaC12H11F3N2O4S
Molecular Weight336.29 g/mol
Exact Mass336.04
IUPAC Name3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O4S/c1-7-11(8(2)21-16-7)22(18,19)17-9-3-5-10(6-4-9)20-12(13,14)15/h3-6,17H,1-2H3
InChIKeyMOZRFULUVTVHJZ-UHFFFAOYSA-N
XLogP2.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide (CID 7400961) is 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is MOZRFULUVTVHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4S/c1-7-11(8(2)21-16-7)22(18,19)17-9-3-5-10(6-4-9)20-12(13,14)15/h3-6,17H,1-2H3.
What are the key properties of 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 336.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 7400961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).