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

C10H8N2O4 — CID 39103097

IUPAC2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2nnco2)c1
InChIInChI=1S/C10H8N2O4/c13-9(14)5-15-8-3-1-2-7(4-8)10-12-11-6-16-10/h1-4,6H,5H2,(H,13,14)
InChIKeyUFQKXFHIOMDBLZ-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.20
Rot. Bonds4

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

2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid (PubChem CID 39103097) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
PubChem CID39103097
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2nnco2)c1
InChIInChI=1S/C10H8N2O4/c13-9(14)5-15-8-3-1-2-7(4-8)10-12-11-6-16-10/h1-4,6H,5H2,(H,13,14)
InChIKeyUFQKXFHIOMDBLZ-UHFFFAOYSA-N
XLogP1.20
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid
CID 39103106
N-cyclopropyl-2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36993349
N-(dicyclopropylmethyl)-2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36994505
2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid
CID 67428033
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
CID 36994323
1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8569592
2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid
CID 69090482
2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569206
2-[3-(2-fluorophenyl)phenoxy]acetic acid
CID 39349094
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid (CID 39103097) is 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid is O=C(O)COc1cccc(-c2nnco2)c1.
What is the InChIKey of 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid?
The InChIKey is UFQKXFHIOMDBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-9(14)5-15-8-3-1-2-7(4-8)10-12-11-6-16-10/h1-4,6H,5H2,(H,13,14).
What are the key properties of 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid?
2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid has a molecular weight of 220.18 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 39103097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).