3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide

C8H11F3N2O4S — CID 113317186

IUPAC3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O4S/c1-4-7(5(2)17-13-4)18(15,16)12-3-6(14)8(9,10)11/h6,12,14H,3H2,1-2H3
InChIKeyXXIKMNVYDYURML-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.49
Rot. Bonds4

About 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide (PubChem CID 113317186) has the molecular formula C8H11F3N2O4S and a molecular weight of 288.25 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide
PubChem CID113317186
Molecular FormulaC8H11F3N2O4S
Molecular Weight288.25 g/mol
Exact Mass288.04
IUPAC Name3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O4S/c1-4-7(5(2)17-13-4)18(15,16)12-3-6(14)8(9,10)11/h6,12,14H,3H2,1-2H3
InChIKeyXXIKMNVYDYURML-UHFFFAOYSA-N
XLogP0.49
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835464
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835124
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55172754
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95982538
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43461531
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6975865
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide (CID 113317186) is 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is XXIKMNVYDYURML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4S/c1-4-7(5(2)17-13-4)18(15,16)12-3-6(14)8(9,10)11/h6,12,14H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 288.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113317186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).