[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

C15H10F2N2O2 — CID 63845104

IUPAC[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C15H10F2N2O2/c16-11-6-10(7-12(17)8-11)14-18-15(21-19-14)13(20)9-4-2-1-3-5-9/h1-8,13,20H
InChIKeyDYOLERQSWCACPG-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.10
Rot. Bonds3

About [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 63845104) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID63845104
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C15H10F2N2O2/c16-11-6-10(7-12(17)8-11)14-18-15(21-19-14)13(20)9-4-2-1-3-5-9/h1-8,13,20H
InChIKeyDYOLERQSWCACPG-UHFFFAOYSA-N
XLogP3.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 63845104) is [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is OC(c1ccccc1)c1nc(-c2cc(F)cc(F)c2)no1.
What is the InChIKey of [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is DYOLERQSWCACPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-11-6-10(7-12(17)8-11)14-18-15(21-19-14)13(20)9-4-2-1-3-5-9/h1-8,13,20H.
What are the key properties of [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 288.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 63845104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).