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

C15H9ClN2O3 — CID 11438055

IUPAC3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C15H9ClN2O3/c16-12-6-2-4-10(8-12)14-17-13(18-21-14)9-3-1-5-11(7-9)15(19)20/h1-8H,(H,19,20)
InChIKeyIVUXZWYNNMABAD-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.76
Rot. Bonds3

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

3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 11438055) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID11438055
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C15H9ClN2O3/c16-12-6-2-4-10(8-12)14-17-13(18-21-14)9-3-1-5-11(7-9)15(19)20/h1-8H,(H,19,20)
InChIKeyIVUXZWYNNMABAD-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

Ataluren
CID 11219835
Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate
CID 11208732
4-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747214
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25180854
Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides
CID 24229498
5-(4-Chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 741929
3-(4-Chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 2803952
3-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)benzoic acid
CID 16748784
4-[5-(2-Chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747216
4-[5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747338
4-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747341
3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62925495

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CID 11438055) is 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is O=C(O)c1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is IVUXZWYNNMABAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-12-6-2-4-10(8-12)14-17-13(18-21-14)9-3-1-5-11(7-9)15(19)20/h1-8H,(H,19,20).
What are the key properties of 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
3-[5-(3-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 3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 11438055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).