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

C11H10N2O4 — CID 82389837

IUPAC2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid
SMILESCOc1ccccc1-c1nonc1CC(=O)O
InChIInChI=1S/C11H10N2O4/c1-16-9-5-3-2-4-7(9)11-8(6-10(14)15)12-17-13-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyWQUXQJKJWWJDHU-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.37
Rot. Bonds4

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

2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid (PubChem CID 82389837) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid
PubChem CID82389837
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid
SMILESCOc1ccccc1-c1nonc1CC(=O)O
InChIInChI=1S/C11H10N2O4/c1-16-9-5-3-2-4-7(9)11-8(6-10(14)15)12-17-13-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyWQUXQJKJWWJDHU-UHFFFAOYSA-N
XLogP1.37
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
CID 162623487
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-[2-(2-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289480
2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 39362974
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7446909
2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid
CID 82036591
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-[5-(2-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302130

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid (CID 82389837) is 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid is COc1ccccc1-c1nonc1CC(=O)O.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid?
The InChIKey is WQUXQJKJWWJDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-16-9-5-3-2-4-7(9)11-8(6-10(14)15)12-17-13-11/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid?
2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid has a molecular weight of 234.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 82389837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).