2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol

C11H10F3NO3 — CID 177065102

IUPAC2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol
SMILESOC1OC(c2ccccc2)=NC1C(O)C(F)(F)F
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)8(16)7-10(17)18-9(15-7)6-4-2-1-3-5-6/h1-5,7-8,10,16-17H
InChIKeyYXVXEUJTCJZTAD-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.07
Rot. Bonds2

About 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol

2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol (PubChem CID 177065102) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol
PubChem CID177065102
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol
SMILESOC1OC(c2ccccc2)=NC1C(O)C(F)(F)F
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)8(16)7-10(17)18-9(15-7)6-4-2-1-3-5-6/h1-5,7-8,10,16-17H
InChIKeyYXVXEUJTCJZTAD-UHFFFAOYSA-N
XLogP1.07
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol?
The IUPAC name of 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol (CID 177065102) is 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol.
What is the SMILES notation for 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol?
The canonical SMILES for 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol is OC1OC(c2ccccc2)=NC1C(O)C(F)(F)F.
What is the InChIKey of 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol?
The InChIKey is YXVXEUJTCJZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-11(13,14)8(16)7-10(17)18-9(15-7)6-4-2-1-3-5-6/h1-5,7-8,10,16-17H.
What are the key properties of 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol?
2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol has a molecular weight of 261.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol is sourced from PubChem (CID 177065102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).