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

C12H12N2O5 — CID 28806166

IUPAC2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2noc(CC(=O)O)n2)c1
InChIInChI=1S/C12H12N2O5/c1-17-7-3-4-9(18-2)8(5-7)12-13-10(19-14-12)6-11(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyVXENNUAWPWEIJG-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.38
Rot. Bonds5

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

2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 28806166) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID28806166
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2noc(CC(=O)O)n2)c1
InChIInChI=1S/C12H12N2O5/c1-17-7-3-4-9(18-2)8(5-7)12-13-10(19-14-12)6-11(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyVXENNUAWPWEIJG-UHFFFAOYSA-N
XLogP1.38
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17376509
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
3-[3-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779409
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20952719
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
2-[[5-(2,5-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 104602319
4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55390112
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl thiophene-2-carboxylate
CID 9417998
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-thiophen-3-ylacetate
CID 9417383

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 28806166) is 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid is COc1ccc(OC)c(-c2noc(CC(=O)O)n2)c1.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is VXENNUAWPWEIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-17-7-3-4-9(18-2)8(5-7)12-13-10(19-14-12)6-11(15)16/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 264.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 28806166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).