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

C15H9ClN2O3 — CID 24747216

IUPAC4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2noc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C15H9ClN2O3/c16-12-4-2-1-3-11(12)14-17-13(18-21-14)9-5-7-10(8-6-9)15(19)20/h1-8H,(H,19,20)
InChIKeyDBPJEBCHIMBDSU-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.76
Rot. Bonds3

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

4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 24747216) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID24747216
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2noc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C15H9ClN2O3/c16-12-4-2-1-3-11(12)14-17-13(18-21-14)9-5-7-10(8-6-9)15(19)20/h1-8H,(H,19,20)
InChIKeyDBPJEBCHIMBDSU-UHFFFAOYSA-N
XLogP3.76
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]boronic acid
CID 75486104
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 80641650
1-[(2R)-butan-2-yl]-3-[4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888716
2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057771
4-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 61339932
methyl 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 19657942
5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 126666922
5-(2-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075353
3-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 6459267
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CID 24747216) is 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2noc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is DBPJEBCHIMBDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-12-4-2-1-3-11(12)14-17-13(18-21-14)9-5-7-10(8-6-9)15(19)20/h1-8H,(H,19,20).
What are the key properties of 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid has a molecular weight of 300.70 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 24747216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).