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

C11H5F6NO2 — CID 12534591

IUPAC4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)9(11(15,16)17)18-7(8(19)20-9)6-4-2-1-3-5-6/h1-5H
InChIKeyRPSRLPJQUODQCH-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.85
Rot. Bonds1

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

4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one (PubChem CID 12534591) has the molecular formula C11H5F6NO2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
PubChem CID12534591
Molecular FormulaC11H5F6NO2
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)9(11(15,16)17)18-7(8(19)20-9)6-4-2-1-3-5-6/h1-5H
InChIKeyRPSRLPJQUODQCH-UHFFFAOYSA-N
XLogP2.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CID 2740931
Methyl 2-diazo-2-(2-fluorophenyl)acetate
CID 73062244
4-(Trifluoromethyl)phenyldiazoacetic acid methyl ester
CID 73115612
Methyl 2-diazo-2-(4-fluorophenyl)acetate
CID 74073861
Tert-butyl 2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 74080449
Tert-butyl 2-diazo-2-(2-fluorophenyl)acetate
CID 125496707
Tert-butyl 2-diazo-2-(4-fluorophenyl)acetate
CID 135797330
Methyl 2-diazo-2-(3-fluorophenyl)acetate
CID 137292069
4-Benzyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
CID 12534593
ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
CID 56601405
Tert-butyl 2-diazo-2-[3-(trifluoromethyl)phenyl]acetate
CID 162411422
2,2,2-Trifluoroethyl 2-diazo-2-phenylacetate
CID 164665184

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one?
The IUPAC name of 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one (CID 12534591) is 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one is O=C1OC(C(F)(F)F)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one?
The InChIKey is RPSRLPJQUODQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO2/c12-10(13,14)9(11(15,16)17)18-7(8(19)20-9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one?
4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one has a molecular weight of 297.15 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one is sourced from PubChem (CID 12534591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).