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

C10H6Cl2N2O3 — CID 42788974

IUPAC2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H6Cl2N2O3/c11-5-1-2-6(7(12)3-5)10-13-8(14-17-10)4-9(15)16/h1-3H,4H2,(H,15,16)
InChIKeyWRBYTZPKDIPYFT-UHFFFAOYSA-N
MW273.07 g/mol
LogP2.67
Rot. Bonds3

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

2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid (PubChem CID 42788974) has the molecular formula C10H6Cl2N2O3 and a molecular weight of 273.07 g/mol. Its IUPAC name is 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid
PubChem CID42788974
Molecular FormulaC10H6Cl2N2O3
Molecular Weight273.07 g/mol
Exact Mass271.98
IUPAC Name2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H6Cl2N2O3/c11-5-1-2-6(7(12)3-5)10-13-8(14-17-10)4-9(15)16/h1-3H,4H2,(H,15,16)
InChIKeyWRBYTZPKDIPYFT-UHFFFAOYSA-N
XLogP2.67
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 42691917
1-[4-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 42691922
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692306
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201086
[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326218
3-(bromomethyl)-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 130536150
5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211491
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid (CID 42788974) is 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid is O=C(O)Cc1noc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The InChIKey is WRBYTZPKDIPYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O3/c11-5-1-2-6(7(12)3-5)10-13-8(14-17-10)4-9(15)16/h1-3H,4H2,(H,15,16).
What are the key properties of 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid?
2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid has a molecular weight of 273.07 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 42788974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).