[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone

C15H8F3NO2S — CID 134840143

IUPAC[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C15H8F3NO2S/c16-15(17,18)13-11(12(20)10-7-4-8-22-10)19-14(21-13)9-5-2-1-3-6-9/h1-8H
InChIKeyCIFHJPLUEWBQBA-UHFFFAOYSA-N
MW323.30 g/mol
LogP4.65
Rot. Bonds3

About [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone

[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone (PubChem CID 134840143) has the molecular formula C15H8F3NO2S and a molecular weight of 323.30 g/mol. Its IUPAC name is [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone
PubChem CID134840143
Molecular FormulaC15H8F3NO2S
Molecular Weight323.30 g/mol
Exact Mass323.02
IUPAC Name[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C15H8F3NO2S/c16-15(17,18)13-11(12(20)10-7-4-8-22-10)19-14(21-13)9-5-2-1-3-6-9/h1-8H
InChIKeyCIFHJPLUEWBQBA-UHFFFAOYSA-N
XLogP4.65
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone (CID 134840143) is [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone?
The InChIKey is CIFHJPLUEWBQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2S/c16-15(17,18)13-11(12(20)10-7-4-8-22-10)19-14(21-13)9-5-2-1-3-6-9/h1-8H.
What are the key properties of [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone?
[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone has a molecular weight of 323.30 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 134840143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).