3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid

C15H11FN2O3 — CID 126581922

IUPAC3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2=NC(c3ccccc3F)ON2)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/h1-8,14H,(H,17,18)(H,19,20)
InChIKeyVZOOKQIEQYEKFS-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.50
Rot. Bonds3

About 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid

3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 126581922) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID126581922
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(C2=NC(c3ccccc3F)ON2)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/h1-8,14H,(H,17,18)(H,19,20)
InChIKeyVZOOKQIEQYEKFS-UHFFFAOYSA-N
XLogP2.50
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[4-(chloromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 129215054
4-[5-(2-methoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 89329101
3-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357516
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-[5-[(2E,5Z)-7,9-dimethyldeca-2,5-dien-3-yl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid
CID 143556969
3-[5-(2-fluorophenyl)-1,2,4,3-trioxazolidin-3-yl]benzoic acid
CID 87459510
benzoic acid;sulfuryl difluoride
CID 22153377
3-[1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid
CID 11558235
(5S)-5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2645872

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid (CID 126581922) is 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid is O=C(O)c1cccc(C2=NC(c3ccccc3F)ON2)c1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is VZOOKQIEQYEKFS-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/h1-8,14H,(H,17,18)(H,19,20).
What are the key properties of 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid?
3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid has a molecular weight of 286.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 126581922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).