N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C15H9F3N2O2S — CID 118862376

IUPACN-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)10-4-9(12-7-19-8-22-12)5-11(6-10)20-14(21)13-2-1-3-23-13/h1-8H,(H,20,21)
InChIKeyQOIXNRQEHGEMHI-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.67
Rot. Bonds3

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

N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 118862376) has the molecular formula C15H9F3N2O2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID118862376
Molecular FormulaC15H9F3N2O2S
Molecular Weight338.31 g/mol
Exact Mass338.03
IUPAC NameN-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)10-4-9(12-7-19-8-22-12)5-11(6-10)20-14(21)13-2-1-3-23-13/h1-8H,(H,20,21)
InChIKeyQOIXNRQEHGEMHI-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 N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 118862376) is N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is QOIXNRQEHGEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2S/c16-15(17,18)10-4-9(12-7-19-8-22-12)5-11(6-10)20-14(21)13-2-1-3-23-13/h1-8H,(H,20,21).
What are the key properties of N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-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 N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 118862376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).