3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid

C14H16N2O3 — CID 82020848

IUPAC3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCCc1ccc(CC(C(=O)O)c2nnc(C)o2)cc1
InChIInChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)8-12(14(17)18)13-16-15-9(2)19-13/h4-7,12H,3,8H2,1-2H3,(H,17,18)
InChIKeyFLASEMCIQATJSQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.35
Rot. Bonds5

About 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid

3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (PubChem CID 82020848) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
PubChem CID82020848
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCCc1ccc(CC(C(=O)O)c2nnc(C)o2)cc1
InChIInChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)8-12(14(17)18)13-16-15-9(2)19-13/h4-7,12H,3,8H2,1-2H3,(H,17,18)
InChIKeyFLASEMCIQATJSQ-UHFFFAOYSA-N
XLogP2.35
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020847
2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
CID 82020844
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 82020875
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
(4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 82024267
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropanoic acid
CID 82132778
2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 110322200

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The IUPAC name of 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (CID 82020848) is 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is CCc1ccc(CC(C(=O)O)c2nnc(C)o2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The InChIKey is FLASEMCIQATJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)8-12(14(17)18)13-16-15-9(2)19-13/h4-7,12H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is sourced from PubChem (CID 82020848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).