[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C23H16F4N2O2 — CID 123606518

IUPAC[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccc(C(F)(F)F)c2)noc1-c1ccccc1CF
InChIInChI=1S/C23H16F4N2O2/c24-12-15-5-1-2-9-18(15)22-19(21(30)16-7-4-10-28-13-16)20(29-31-22)14-6-3-8-17(11-14)23(25,26)27/h1-11,13,21,30H,12H2
InChIKeyZOPURMPZMVGKFI-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.97
Rot. Bonds5

About [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 123606518) has the molecular formula C23H16F4N2O2 and a molecular weight of 428.39 g/mol. Its IUPAC name is [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID123606518
Molecular FormulaC23H16F4N2O2
Molecular Weight428.39 g/mol
Exact Mass428.11
IUPAC Name[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccc(C(F)(F)F)c2)noc1-c1ccccc1CF
InChIInChI=1S/C23H16F4N2O2/c24-12-15-5-1-2-9-18(15)22-19(21(30)16-7-4-10-28-13-16)20(29-31-22)14-6-3-8-17(11-14)23(25,26)27/h1-11,13,21,30H,12H2
InChIKeyZOPURMPZMVGKFI-UHFFFAOYSA-N
XLogP5.97
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 123606518) is [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2cccc(C(F)(F)F)c2)noc1-c1ccccc1CF.
What is the InChIKey of [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ZOPURMPZMVGKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2/c24-12-15-5-1-2-9-18(15)22-19(21(30)16-7-4-10-28-13-16)20(29-31-22)14-6-3-8-17(11-14)23(25,26)27/h1-11,13,21,30H,12H2.
What are the key properties of [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 428.39 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 123606518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).