3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one

C10H6F3NO2 — CID 162541741

IUPAC3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-8(14-16-9(7)15)6-4-2-1-3-5-6/h1-5,14H
InChIKeyVDKPCVZGEIQMHH-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.65
Rot. Bonds1

About 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one

3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one (PubChem CID 162541741) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one
PubChem CID162541741
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-8(14-16-9(7)15)6-4-2-1-3-5-6/h1-5,14H
InChIKeyVDKPCVZGEIQMHH-UHFFFAOYSA-N
XLogP2.65
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one (CID 162541741) is 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one is O=c1o[nH]c(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one?
The InChIKey is VDKPCVZGEIQMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)7-8(14-16-9(7)15)6-4-2-1-3-5-6/h1-5,14H.
What are the key properties of 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one?
3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one has a molecular weight of 229.16 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(trifluoromethyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 162541741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).