N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide

C18H21F3N2O5S — CID 59662692

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)no1
InChIInChI=1S/C18H21F3N2O5S/c1-16(2,3)13-10-14(23-28-13)22-15(24)17(4,5)29(25,26)12-8-6-7-11(9-12)27-18(19,20)21/h6-10H,1-5H3,(H,22,23,24)
InChIKeyFYRFHWQMZTZDLF-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.06
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide (PubChem CID 59662692) has the molecular formula C18H21F3N2O5S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
PubChem CID59662692
Molecular FormulaC18H21F3N2O5S
Molecular Weight434.44 g/mol
Exact Mass434.11
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)no1
InChIInChI=1S/C18H21F3N2O5S/c1-16(2,3)13-10-14(23-28-13)22-15(24)17(4,5)29(25,26)12-8-6-7-11(9-12)27-18(19,20)21/h6-10H,1-5H3,(H,22,23,24)
InChIKeyFYRFHWQMZTZDLF-UHFFFAOYSA-N
XLogP4.06
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide (CID 59662692) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The InChIKey is FYRFHWQMZTZDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O5S/c1-16(2,3)13-10-14(23-28-13)22-15(24)17(4,5)29(25,26)12-8-6-7-11(9-12)27-18(19,20)21/h6-10H,1-5H3,(H,22,23,24).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide has a molecular weight of 434.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide is sourced from PubChem (CID 59662692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).