3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole

C16H11F3N2O2 — CID 99630410

IUPAC3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(OCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)14-7-4-8-15(20-14)22-10-12-9-13(21-23-12)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyOMTOCKNNNPMFKS-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.33
Rot. Bonds4

About 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole

3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole (PubChem CID 99630410) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole
PubChem CID99630410
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(OCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)14-7-4-8-15(20-14)22-10-12-9-13(21-23-12)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyOMTOCKNNNPMFKS-UHFFFAOYSA-N
XLogP4.33
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole (CID 99630410) is 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole is FC(F)(F)c1cccc(OCc2cc(-c3ccccc3)no2)n1.
What is the InChIKey of 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole?
The InChIKey is OMTOCKNNNPMFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)14-7-4-8-15(20-14)22-10-12-9-13(21-23-12)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole?
3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole has a molecular weight of 320.27 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 99630410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).