3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

C11H8Cl2N2O3 — CID 17122277

IUPAC3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2cccc(Cl)c2Cl)no1
InChIInChI=1S/C11H8Cl2N2O3/c12-7-3-1-2-6(10(7)13)11-14-8(18-15-11)4-5-9(16)17/h1-3H,4-5H2,(H,16,17)
InChIKeyPJQJDRJHOUMNSJ-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.06
Rot. Bonds4

About 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 17122277) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID17122277
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2cccc(Cl)c2Cl)no1
InChIInChI=1S/C11H8Cl2N2O3/c12-7-3-1-2-6(10(7)13)11-14-8(18-15-11)4-5-9(16)17/h1-3H,4-5H2,(H,16,17)
InChIKeyPJQJDRJHOUMNSJ-UHFFFAOYSA-N
XLogP3.06
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 136748589
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 100757938
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 133209724
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 103083488
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenoxybutanamide
CID 110323943
3-[3-(1-methylpyridin-1-ium-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 3273122
(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 4855284

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 17122277) is 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is O=C(O)CCc1nc(-c2cccc(Cl)c2Cl)no1.
What is the InChIKey of 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is PJQJDRJHOUMNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c12-7-3-1-2-6(10(7)13)11-14-8(18-15-11)4-5-9(16)17/h1-3H,4-5H2,(H,16,17).
What are the key properties of 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 287.10 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 17122277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).