sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate

C15H8FN2NaO3 — CID 23705996

IUPACsodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESO=C([O-])c1cccc(-c2noc(-c3ccccc3F)n2)c1.[Na+]
InChIInChI=1S/C15H9FN2O3.Na/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20;/h1-8H,(H,19,20);/q;+1/p-1
InChIKeyFGAFEQDJOICDCU-UHFFFAOYSA-M
MW306.23 g/mol
LogP-1.09
Rot. Bonds3

About sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate

sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 23705996) has the molecular formula C15H8FN2NaO3 and a molecular weight of 306.23 g/mol. Its IUPAC name is sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

Compound Namesodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
PubChem CID23705996
Molecular FormulaC15H8FN2NaO3
Molecular Weight306.23 g/mol
Exact Mass306.04
IUPAC Namesodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESO=C([O-])c1cccc(-c2noc(-c3ccccc3F)n2)c1.[Na+]
InChIInChI=1S/C15H9FN2O3.Na/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20;/h1-8H,(H,19,20);/q;+1/p-1
InChIKeyFGAFEQDJOICDCU-UHFFFAOYSA-M
XLogP-1.09
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
CID 91226224
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 91884623
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068
2-[2-(3-methoxypropoxy)ethoxy]ethyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 142953500
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
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
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713

Frequently Asked Questions

What is the IUPAC name of sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate?
The IUPAC name of sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate (CID 23705996) is sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate.
What is the SMILES notation for sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate?
The canonical SMILES for sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate is O=C([O-])c1cccc(-c2noc(-c3ccccc3F)n2)c1.[Na+].
What is the InChIKey of sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate?
The InChIKey is FGAFEQDJOICDCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9FN2O3.Na/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20;/h1-8H,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate?
sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 306.23 g/mol, XLogP of -1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 23705996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).