3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol

C12H11F4NO3 — CID 2919229

IUPAC3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccc(O)c(C2=NOC(O)(C(F)(F)C(F)F)C2)c1
InChIInChI=1S/C12H11F4NO3/c1-6-2-3-9(18)7(4-6)8-5-11(19,20-17-8)12(15,16)10(13)14/h2-4,10,18-19H,5H2,1H3
InChIKeyDJNUOPNMJSYQLW-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.41
Rot. Bonds3

About 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol

3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol (PubChem CID 2919229) has the molecular formula C12H11F4NO3 and a molecular weight of 293.22 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol
PubChem CID2919229
Molecular FormulaC12H11F4NO3
Molecular Weight293.22 g/mol
Exact Mass293.07
IUPAC Name3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccc(O)c(C2=NOC(O)(C(F)(F)C(F)F)C2)c1
InChIInChI=1S/C12H11F4NO3/c1-6-2-3-9(18)7(4-6)8-5-11(19,20-17-8)12(15,16)10(13)14/h2-4,10,18-19H,5H2,1H3
InChIKeyDJNUOPNMJSYQLW-UHFFFAOYSA-N
XLogP2.41
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol (CID 2919229) is 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol is Cc1ccc(O)c(C2=NOC(O)(C(F)(F)C(F)F)C2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is DJNUOPNMJSYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO3/c1-6-2-3-9(18)7(4-6)8-5-11(19,20-17-8)12(15,16)10(13)14/h2-4,10,18-19H,5H2,1H3.
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol?
3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 293.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 2919229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).