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

C13H13F3N2O3S — CID 3863030

IUPAC3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O3S/c1-8-12(9(2)21-18-8)22(19,20)17-7-10-4-3-5-11(6-10)13(14,15)16/h3-6,17H,7H2,1-2H3
InChIKeySQJNYMWPDDHADK-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.79
Rot. Bonds4

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

3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 3863030) has the molecular formula C13H13F3N2O3S and a molecular weight of 334.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID3863030
Molecular FormulaC13H13F3N2O3S
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC Name3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O3S/c1-8-12(9(2)21-18-8)22(19,20)17-7-10-4-3-5-11(6-10)13(14,15)16/h3-6,17H,7H2,1-2H3
InChIKeySQJNYMWPDDHADK-UHFFFAOYSA-N
XLogP2.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434226
3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 71886504
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide
CID 24581040
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 43455863
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
3,5-dimethyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110785205
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 54897462
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27687532
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide
CID 113317186

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide (CID 3863030) is 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is SQJNYMWPDDHADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S/c1-8-12(9(2)21-18-8)22(19,20)17-7-10-4-3-5-11(6-10)13(14,15)16/h3-6,17H,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 334.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3863030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).