3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid

C13H14N2O4 — CID 39362077

IUPAC3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCCOc1ccccc1-c1nnc(CCC(=O)O)o1
InChIInChI=1S/C13H14N2O4/c1-2-18-10-6-4-3-5-9(10)13-15-14-11(19-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKeyIAHLIOOQQMGPEF-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.15
Rot. Bonds6

About 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid

3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 39362077) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID39362077
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCCOc1ccccc1-c1nnc(CCC(=O)O)o1
InChIInChI=1S/C13H14N2O4/c1-2-18-10-6-4-3-5-9(10)13-15-14-11(19-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKeyIAHLIOOQQMGPEF-UHFFFAOYSA-N
XLogP2.15
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39356118
[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82159229
N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334734
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
N-(2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334805
3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908048
N-[(2-ethoxyphenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943792
N-(2-ethoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229615
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54928865
N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 92644483
3-[5-(2-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908050
N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylphenyl)propanamide
CID 110334846

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 39362077) is 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is CCOc1ccccc1-c1nnc(CCC(=O)O)o1.
What is the InChIKey of 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is IAHLIOOQQMGPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-18-10-6-4-3-5-9(10)13-15-14-11(19-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 262.26 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 39362077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).