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

C11H7F6NO2 — CID 13265293

IUPAC2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol
SMILESOC1OC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F6NO2/c12-10(13,14)9(11(15,16)17)8(19)20-7(18-9)6-4-2-1-3-5-6/h1-5,8,19H
InChIKeyAMDBWRBYLAEDHA-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.65
Rot. Bonds1

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

2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol (PubChem CID 13265293) has the molecular formula C11H7F6NO2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol
PubChem CID13265293
Molecular FormulaC11H7F6NO2
Molecular Weight299.17 g/mol
Exact Mass299.04
IUPAC Name2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol
SMILESOC1OC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F6NO2/c12-10(13,14)9(11(15,16)17)8(19)20-7(18-9)6-4-2-1-3-5-6/h1-5,8,19H
InChIKeyAMDBWRBYLAEDHA-UHFFFAOYSA-N
XLogP2.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol?
The IUPAC name of 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol (CID 13265293) is 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol.
What is the SMILES notation for 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol?
The canonical SMILES for 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol is OC1OC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol?
The InChIKey is AMDBWRBYLAEDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO2/c12-10(13,14)9(11(15,16)17)8(19)20-7(18-9)6-4-2-1-3-5-6/h1-5,8,19H.
What are the key properties of 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol?
2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol has a molecular weight of 299.17 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-ol is sourced from PubChem (CID 13265293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).