5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C15H9F3N2O2S — CID 3240610

IUPAC5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-4-10(7-9)19-14(21)11-8-12(22-20-11)13-5-2-6-23-13/h1-8H,(H,19,21)
InChIKeyPHKNZMAORRGHOV-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.67
Rot. Bonds3

About 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 3240610) has the molecular formula C15H9F3N2O2S and a molecular weight of 338.31 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID3240610
Molecular FormulaC15H9F3N2O2S
Molecular Weight338.31 g/mol
Exact Mass338.03
IUPAC Name5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-4-10(7-9)19-14(21)11-8-12(22-20-11)13-5-2-6-23-13/h1-8H,(H,19,21)
InChIKeyPHKNZMAORRGHOV-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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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 3240610) is 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1.
What is the InChIKey of 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PHKNZMAORRGHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-4-10(7-9)19-14(21)11-8-12(22-20-11)13-5-2-6-23-13/h1-8H,(H,19,21).
What are the key properties of 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide 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 5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3240610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).