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

C10H9N3O4 — CID 919828

IUPAC2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
SMILESNc1noc(-c2ccccc2OCC(=O)O)n1
InChIInChI=1S/C10H9N3O4/c11-10-12-9(17-13-10)6-3-1-2-4-7(6)16-5-8(14)15/h1-4H,5H2,(H2,11,13)(H,14,15)
InChIKeyIBNHSPRIVXLFBA-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.78
Rot. Bonds4

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

2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid (PubChem CID 919828) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
PubChem CID919828
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
SMILESNc1noc(-c2ccccc2OCC(=O)O)n1
InChIInChI=1S/C10H9N3O4/c11-10-12-9(17-13-10)6-3-1-2-4-7(6)16-5-8(14)15/h1-4H,5H2,(H2,11,13)(H,14,15)
InChIKeyIBNHSPRIVXLFBA-UHFFFAOYSA-N
XLogP0.78
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid
CID 23010388
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
CID 136543120
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
2-(2-naphthalen-2-ylphenoxy)acetic acid
CID 139923485
N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746022
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46971254
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid (CID 919828) is 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid is Nc1noc(-c2ccccc2OCC(=O)O)n1.
What is the InChIKey of 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid?
The InChIKey is IBNHSPRIVXLFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c11-10-12-9(17-13-10)6-3-1-2-4-7(6)16-5-8(14)15/h1-4H,5H2,(H2,11,13)(H,14,15).
What are the key properties of 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid?
2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid has a molecular weight of 235.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 919828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).