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

C16H10F3NO2 — CID 102264524

IUPAC5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)12-6-8-13(9-7-12)20-10-14(22-15(20)21)11-4-2-1-3-5-11/h1-10H
InChIKeyUAAUFOBRUDIBKK-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.12
Rot. Bonds2

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

5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one (PubChem CID 102264524) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one
PubChem CID102264524
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)12-6-8-13(9-7-12)20-10-14(22-15(20)21)11-4-2-1-3-5-11/h1-10H
InChIKeyUAAUFOBRUDIBKK-UHFFFAOYSA-N
XLogP4.12
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one?
The IUPAC name of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one (CID 102264524) is 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one.
What is the SMILES notation for 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one?
The canonical SMILES for 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one?
The InChIKey is UAAUFOBRUDIBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)12-6-8-13(9-7-12)20-10-14(22-15(20)21)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one?
5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one has a molecular weight of 305.26 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one is sourced from PubChem (CID 102264524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).