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

C11H10N2O4 — CID 22343321

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2noc(CC(=O)O)n2)cc1
InChIInChI=1S/C11H10N2O4/c1-16-8-4-2-7(3-5-8)11-12-9(17-13-11)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUVXCILZQOWDSRU-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.37
Rot. Bonds4

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

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 22343321) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID22343321
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2noc(CC(=O)O)n2)cc1
InChIInChI=1S/C11H10N2O4/c1-16-8-4-2-7(3-5-8)11-12-9(17-13-11)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUVXCILZQOWDSRU-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 22343321) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid is COc1ccc(-c2noc(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is UVXCILZQOWDSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-16-8-4-2-7(3-5-8)11-12-9(17-13-11)6-10(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-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-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 22343321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).