[5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol

C16H11F3N2O2 — CID 162418222

IUPAC[5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1nc(-c2ccc(C(F)(F)F)nc2)oc1-c1ccccc1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)13-7-6-11(8-20-13)15-21-12(9-22)14(23-15)10-4-2-1-3-5-10/h1-8,22H,9H2
InChIKeyIFNQXFONTKCGKR-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.91
Rot. Bonds3

About [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol

[5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol (PubChem CID 162418222) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol
PubChem CID162418222
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name[5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1nc(-c2ccc(C(F)(F)F)nc2)oc1-c1ccccc1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)13-7-6-11(8-20-13)15-21-12(9-22)14(23-15)10-4-2-1-3-5-10/h1-8,22H,9H2
InChIKeyIFNQXFONTKCGKR-UHFFFAOYSA-N
XLogP3.91
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol (CID 162418222) is [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol is OCc1nc(-c2ccc(C(F)(F)F)nc2)oc1-c1ccccc1.
What is the InChIKey of [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is IFNQXFONTKCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)13-7-6-11(8-20-13)15-21-12(9-22)14(23-15)10-4-2-1-3-5-10/h1-8,22H,9H2.
What are the key properties of [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
[5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 320.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 162418222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).