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

C8H12N2O4 — CID 71755379

IUPAC3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCOC(C)c1noc(CCC(=O)O)n1
InChIInChI=1S/C8H12N2O4/c1-5(13-2)8-9-6(14-10-8)3-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyHYBUIASIUHVEPO-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.79
Rot. Bonds5

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

3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 71755379) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID71755379
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCOC(C)c1noc(CCC(=O)O)n1
InChIInChI=1S/C8H12N2O4/c1-5(13-2)8-9-6(14-10-8)3-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyHYBUIASIUHVEPO-UHFFFAOYSA-N
XLogP0.79
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570818
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-one
CID 79604309
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79616272
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
CID 96528499
4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 116744207
N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 84586908
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79613895
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
cis-(1S,2R)-2-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132563
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 116744032

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 71755379) is 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid is COC(C)c1noc(CCC(=O)O)n1.
What is the InChIKey of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is HYBUIASIUHVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5(13-2)8-9-6(14-10-8)3-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 200.19 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 71755379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).