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

C17H14N2O5 — CID 23010460

IUPAC2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
SMILESCOc1ccccc1-c1noc(-c2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C17H14N2O5/c1-22-14-5-3-2-4-13(14)16-18-17(24-19-16)11-6-8-12(9-7-11)23-10-15(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyJJAXZNUTOPVUJD-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.88
Rot. Bonds6

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

2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid (PubChem CID 23010460) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
PubChem CID23010460
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
SMILESCOc1ccccc1-c1noc(-c2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C17H14N2O5/c1-22-14-5-3-2-4-13(14)16-18-17(24-19-16)11-6-8-12(9-7-11)23-10-15(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyJJAXZNUTOPVUJD-UHFFFAOYSA-N
XLogP2.88
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
CID 88937378
CID 88937378
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 23010469
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121096620
2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid
CID 23010388
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
CID 46160785

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid (CID 23010460) is 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid is COc1ccccc1-c1noc(-c2ccc(OCC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The InChIKey is JJAXZNUTOPVUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-22-14-5-3-2-4-13(14)16-18-17(24-19-16)11-6-8-12(9-7-11)23-10-15(20)21/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid has a molecular weight of 326.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 23010460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).