N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide

C13H19F3N2O4S — CID 59703978

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC(F)(F)F)no1
InChIInChI=1S/C13H19F3N2O4S/c1-11(2,3)8-6-9(18-22-8)17-10(19)12(4,5)23(20,21)7-13(14,15)16/h6H,7H2,1-5H3,(H,17,18,19)
InChIKeyRFSGXDHZUUAEAN-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.67
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide (PubChem CID 59703978) has the molecular formula C13H19F3N2O4S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide
PubChem CID59703978
Molecular FormulaC13H19F3N2O4S
Molecular Weight356.37 g/mol
Exact Mass356.10
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC(F)(F)F)no1
InChIInChI=1S/C13H19F3N2O4S/c1-11(2,3)8-6-9(18-22-8)17-10(19)12(4,5)23(20,21)7-13(14,15)16/h6H,7H2,1-5H3,(H,17,18,19)
InChIKeyRFSGXDHZUUAEAN-UHFFFAOYSA-N
XLogP2.67
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-t-butylisoxazol-3-yl)-2,2,2-trifluoroacetamide
CID 91622203
N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 22768161
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 56603147
N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 56603205
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide
CID 68733131
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide
CID 68733904
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methylpropanamide
CID 68734166
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide
CID 68734168
N-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)acetamide
CID 86676496
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-2-[methylidene-oxo-(4,4,4-trifluorobutyl)-lambda6-sulfanyl]propanamide
CID 89078371
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-[methylidene-oxo-(4,4,4-trifluorobutyl)-lambda6-sulfanyl]prop-2-enamide
CID 89078470
N-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-(4,4,4-trifluorobutylsulfonyl)prop-2-enamide
CID 89392971

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide (CID 59703978) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC(F)(F)F)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide?
The InChIKey is RFSGXDHZUUAEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O4S/c1-11(2,3)8-6-9(18-22-8)17-10(19)12(4,5)23(20,21)7-13(14,15)16/h6H,7H2,1-5H3,(H,17,18,19).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide has a molecular weight of 356.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide is sourced from PubChem (CID 59703978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).