[5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol

C10H6F3NO2 — CID 79144664

IUPAC[5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C10H6F3NO2/c11-5-1-6(12)9(7(13)2-5)10-8(3-15)14-4-16-10/h1-2,4,15H,3H2
InChIKeyIOWMXCLITCNXBM-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.25
Rot. Bonds2

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

[5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol (PubChem CID 79144664) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol
PubChem CID79144664
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name[5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C10H6F3NO2/c11-5-1-6(12)9(7(13)2-5)10-8(3-15)14-4-16-10/h1-2,4,15H,3H2
InChIKeyIOWMXCLITCNXBM-UHFFFAOYSA-N
XLogP2.25
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol (CID 79144664) is [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol is OCc1ncoc1-c1c(F)cc(F)cc1F.
What is the InChIKey of [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is IOWMXCLITCNXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-5-1-6(12)9(7(13)2-5)10-8(3-15)14-4-16-10/h1-2,4,15H,3H2.
What are the key properties of [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol?
[5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 229.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 79144664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).