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

C11H10N2O4 — CID 39103106

IUPAC3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1cccc(-c2nnco2)c1
InChIInChI=1S/C11H10N2O4/c14-10(15)4-5-16-9-3-1-2-8(6-9)11-13-12-7-17-11/h1-3,6-7H,4-5H2,(H,14,15)
InChIKeyIGLNQHUSRKDYGM-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.59
Rot. Bonds5

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

3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid (PubChem CID 39103106) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid
PubChem CID39103106
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1cccc(-c2nnco2)c1
InChIInChI=1S/C11H10N2O4/c14-10(15)4-5-16-9-3-1-2-8(6-9)11-13-12-7-17-11/h1-3,6-7H,4-5H2,(H,14,15)
InChIKeyIGLNQHUSRKDYGM-UHFFFAOYSA-N
XLogP1.59
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
CID 39103097
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
3-[3-(1,2,4-triazol-4-yl)phenoxy]propanoic acid
CID 82513156
2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
CID 36994323
3-[3-(2,5-dimethylphenyl)phenoxy]propanoic acid
CID 39369428
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
CID 131885829
CID 131885829
3-(2,4-difluorophenoxy)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 75404395
3-[3-(chloromethyl)phenoxy]propanoic acid
CID 54044579
2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569206
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid?
The IUPAC name of 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid (CID 39103106) is 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid?
The canonical SMILES for 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid is O=C(O)CCOc1cccc(-c2nnco2)c1.
What is the InChIKey of 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid?
The InChIKey is IGLNQHUSRKDYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10(15)4-5-16-9-3-1-2-8(6-9)11-13-12-7-17-11/h1-3,6-7H,4-5H2,(H,14,15).
What are the key properties of 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid?
3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid has a molecular weight of 234.21 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 39103106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).