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

C23H17F3N2O4 — CID 59675015

IUPAC[5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(OC(F)(F)F)cc2)noc1COc1ccccc1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)31-18-10-8-15(9-11-18)21-20(22(29)16-5-4-12-27-13-16)19(32-28-21)14-30-17-6-2-1-3-7-17/h1-13,22,29H,14H2
InChIKeyUXYCNNATUXRJNX-UHFFFAOYSA-N
MW442.39 g/mol
LogP5.30
Rot. Bonds7

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

[5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 59675015) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID59675015
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC Name[5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(OC(F)(F)F)cc2)noc1COc1ccccc1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)31-18-10-8-15(9-11-18)21-20(22(29)16-5-4-12-27-13-16)19(32-28-21)14-30-17-6-2-1-3-7-17/h1-13,22,29H,14H2
InChIKeyUXYCNNATUXRJNX-UHFFFAOYSA-N
XLogP5.30
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 59675015) is [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(OC(F)(F)F)cc2)noc1COc1ccccc1.
What is the InChIKey of [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is UXYCNNATUXRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c24-23(25,26)31-18-10-8-15(9-11-18)21-20(22(29)16-5-4-12-27-13-16)19(32-28-21)14-30-17-6-2-1-3-7-17/h1-13,22,29H,14H2.
What are the key properties of [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 442.39 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 59675015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).