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

C15H10F2N2O2 — CID 63850605

IUPAC[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C15H10F2N2O2/c16-11-7-6-10(8-12(11)17)14-18-15(21-19-14)13(20)9-4-2-1-3-5-9/h1-8,13,20H
InChIKeyQVMCYXMKMBULMB-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.10
Rot. Bonds3

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

[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 63850605) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID63850605
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C15H10F2N2O2/c16-11-7-6-10(8-12(11)17)14-18-15(21-19-14)13(20)9-4-2-1-3-5-9/h1-8,13,20H
InChIKeyQVMCYXMKMBULMB-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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Related Compounds

(5-Phenyl-1,2,4-oxadiazol-3-yl)methanol
CID 2726650
1-(3-Fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
CID 162671192
1-(3,5-Difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
CID 162671338
1-Phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
CID 162672782
4-[5-(Hydroxymethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 25180850
2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 399835
[3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 49853165
(5-Phenyl-1,2,4-oxadiazol-3-yl)methanediol
CID 12569999
(5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl)methanol
CID 23205019
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-ol
CID 66263014
5-Benzyl-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6460939
(4-Fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
CID 134909380

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 63850605) is [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is OC(c1ccccc1)c1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is QVMCYXMKMBULMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-11-7-6-10(8-12(11)17)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-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(3,4-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-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 63850605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).