[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol

C15H11FN2O3 — CID 123369622

IUPAC[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
SMILESOC(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C15H11FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8,15,19-20H
InChIKeyGQLBSAPFQDIJIX-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.53
Rot. Bonds3

About [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol

[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol (PubChem CID 123369622) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol.

Molecular Properties

Compound Name[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
PubChem CID123369622
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
SMILESOC(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C15H11FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8,15,19-20H
InChIKeyGQLBSAPFQDIJIX-UHFFFAOYSA-N
XLogP2.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 143556785
sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 23705996
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
CID 91226224
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068
[3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 167105376
sodium;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoate
CID 162252966
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 91884623
1-butan-2-yl-3-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 46321489
2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 50755911
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol?
The IUPAC name of [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol (CID 123369622) is [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol.
What is the SMILES notation for [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol?
The canonical SMILES for [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol is OC(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.
What is the InChIKey of [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol?
The InChIKey is GQLBSAPFQDIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8,15,19-20H.
What are the key properties of [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol?
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol has a molecular weight of 286.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol is sourced from PubChem (CID 123369622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).