3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid

C20H20N2O4 — CID 75511310

IUPAC3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
SMILESCCc1ccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)cc1
InChIInChI=1S/C20H20N2O4/c1-2-14-3-8-16(9-4-14)20-21-18(26-22-20)13-25-17-10-5-15(6-11-17)7-12-19(23)24/h3-6,8-11H,2,7,12-13H2,1H3,(H,23,24)
InChIKeyXGNKEIRTQKXTDP-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.90
Rot. Bonds8

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

3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid (PubChem CID 75511310) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
PubChem CID75511310
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
SMILESCCc1ccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)cc1
InChIInChI=1S/C20H20N2O4/c1-2-14-3-8-16(9-4-14)20-21-18(26-22-20)13-25-17-10-5-15(6-11-17)7-12-19(23)24/h3-6,8-11H,2,7,12-13H2,1H3,(H,23,24)
InChIKeyXGNKEIRTQKXTDP-UHFFFAOYSA-N
XLogP3.90
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenoxy)acetate
CID 8601377
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912306
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30029077
5-[(4-ethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8895405
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 34740429
3-(4-ethylphenyl)-5-[(4-piperidin-1-ylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 60597298
5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
CID 5076685
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
3-[3-(1-methylpyridin-1-ium-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 3273122
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 8534566

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid (CID 75511310) is 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid is CCc1ccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)cc1.
What is the InChIKey of 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid?
The InChIKey is XGNKEIRTQKXTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-14-3-8-16(9-4-14)20-21-18(26-22-20)13-25-17-10-5-15(6-11-17)7-12-19(23)24/h3-6,8-11H,2,7,12-13H2,1H3,(H,23,24).
What are the key properties of 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid?
3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 75511310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).