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

C23H17F3N2O3 — CID 59674945

IUPAC[5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccc(C(F)(F)F)c2)noc1COc1ccccc1
InChIInChI=1S/C23H17F3N2O3/c24-23(25,26)17-8-4-6-15(12-17)21-20(22(29)16-7-5-11-27-13-16)19(31-28-21)14-30-18-9-2-1-3-10-18/h1-13,22,29H,14H2
InChIKeyQJXCBVXKYINSCS-UHFFFAOYSA-N
MW426.39 g/mol
LogP5.42
Rot. Bonds6

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

[5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 59674945) has the molecular formula C23H17F3N2O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID59674945
Molecular FormulaC23H17F3N2O3
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC Name[5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccc(C(F)(F)F)c2)noc1COc1ccccc1
InChIInChI=1S/C23H17F3N2O3/c24-23(25,26)17-8-4-6-15(12-17)21-20(22(29)16-7-5-11-27-13-16)19(31-28-21)14-30-18-9-2-1-3-10-18/h1-13,22,29H,14H2
InChIKeyQJXCBVXKYINSCS-UHFFFAOYSA-N
XLogP5.42
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 59674945) is [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2cccc(C(F)(F)F)c2)noc1COc1ccccc1.
What is the InChIKey of [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is QJXCBVXKYINSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3/c24-23(25,26)17-8-4-6-15(12-17)21-20(22(29)16-7-5-11-27-13-16)19(31-28-21)14-30-18-9-2-1-3-10-18/h1-13,22,29H,14H2.
What are the key properties of [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 426.39 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 59674945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).