N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C14H8F3N3O2S — CID 46958826

IUPACN-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1ncoc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)9-4-2-1-3-8(9)11-10(19-7-22-11)12(21)20-13-18-5-6-23-13/h1-7H,(H,18,20,21)
InChIKeyCSGJIQWNEBBHNL-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.07
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 46958826) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID46958826
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC NameN-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1ncoc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)9-4-2-1-3-8(9)11-10(19-7-22-11)12(21)20-13-18-5-6-23-13/h1-7H,(H,18,20,21)
InChIKeyCSGJIQWNEBBHNL-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 46958826) is N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1nccs1)c1ncoc1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CSGJIQWNEBBHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)9-4-2-1-3-8(9)11-10(19-7-22-11)12(21)20-13-18-5-6-23-13/h1-7H,(H,18,20,21).
What are the key properties of N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 339.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46958826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).