N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide

C15H9F3N2O2S — CID 53143329

IUPACN-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccsc2)no1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)11-4-2-1-3-10(11)14(21)19-13-7-12(20-22-13)9-5-6-23-8-9/h1-8H,(H,19,21)
InChIKeyZDOMRYITRKSHDE-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.67
Rot. Bonds3

About N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide

N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide (PubChem CID 53143329) has the molecular formula C15H9F3N2O2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide
PubChem CID53143329
Molecular FormulaC15H9F3N2O2S
Molecular Weight338.31 g/mol
Exact Mass338.03
IUPAC NameN-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccsc2)no1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)11-4-2-1-3-10(11)14(21)19-13-7-12(20-22-13)9-5-6-23-8-9/h1-8H,(H,19,21)
InChIKeyZDOMRYITRKSHDE-UHFFFAOYSA-N
XLogP4.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-sulfamoylthiophen-3-yl)-1,2-oxazol-5-yl]acetamide
CID 132961363
5-thien-2-yl-N-[3-(trifluoromethyl)phenyl]isoxazole-3-carboxamide
CID 3240610
Acetamide, N-(3-(2-thienyl)-5-isoxazolyl)-
CID 216899
Benzamide, N-(3-(2-thienyl)-5-isoxazolyl)-
CID 216892
Benzamide, 4-nitro-N-(3-(2-thienyl)-5-isoxazolyl)-
CID 216893
Propanamide, 3-chloro-N-(3-(2-thienyl)-5-isoxazolyl)-
CID 216927
N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)-2-(trifluoromethyl)benzamide
CID 16867637
2-(4-Fluorophenyl)-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]acetamide
CID 53143169
2-Methyl-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]benzamide
CID 53143174
4-Fluoro-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]benzamide
CID 53143179
2-(3-Fluorophenyl)-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]acetamide
CID 53143182
3,5-Difluoro-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]benzamide
CID 53143185

Frequently Asked Questions

What is the IUPAC name of N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide (CID 53143329) is N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2ccsc2)no1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is ZDOMRYITRKSHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2S/c16-15(17,18)11-4-2-1-3-10(11)14(21)19-13-7-12(20-22-13)9-5-6-23-8-9/h1-8H,(H,19,21).
What are the key properties of N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide?
N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 338.31 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 53143329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).