2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol

C11H8F3NO3 — CID 134997974

IUPAC2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol
SMILESOC(O)(c1ncc(-c2ccccc2)o1)C(F)(F)F
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)10(16,17)9-15-6-8(18-9)7-4-2-1-3-5-7/h1-6,16-17H
InChIKeyPASKUBRHHMLREU-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.04
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol

2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol (PubChem CID 134997974) has the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol
PubChem CID134997974
Molecular FormulaC11H8F3NO3
Molecular Weight259.18 g/mol
Exact Mass259.05
IUPAC Name2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol
SMILESOC(O)(c1ncc(-c2ccccc2)o1)C(F)(F)F
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)10(16,17)9-15-6-8(18-9)7-4-2-1-3-5-7/h1-6,16-17H
InChIKeyPASKUBRHHMLREU-UHFFFAOYSA-N
XLogP2.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-Diphenyloxazole
CID 7105
5-Phenyl oxazole
CID 589311
2-Cyclohexyl-5-phenyloxazole
CID 87832
5-(4-Methylphenyl)-1,3-oxazole
CID 2739179
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
5-Phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
CID 52946272
1-(5-Phenyloxazol-2-yl)octadec-9-en-1-one
CID 11154099
1-(5-(2-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110633
2-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzonitrile
CID 16110636
1-(5-(3-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110639
3-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzonitrile
CID 16110642
Methyl 4-(2-(7-phenylheptanoyl)oxazol-5-yl)benzoate
CID 16110644

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol?
The IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol (CID 134997974) is 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol?
The canonical SMILES for 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol is OC(O)(c1ncc(-c2ccccc2)o1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol?
The InChIKey is PASKUBRHHMLREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3/c12-11(13,14)10(16,17)9-15-6-8(18-9)7-4-2-1-3-5-7/h1-6,16-17H.
What are the key properties of 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol?
2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol has a molecular weight of 259.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethane-1,1-diol is sourced from PubChem (CID 134997974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).