2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid

C15H27N3O3 — CID 43471037

IUPAC2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
SMILESCCN(CC)CCc1noc(CC(CC)(CC)C(=O)O)n1
InChIInChI=1S/C15H27N3O3/c1-5-15(6-2,14(19)20)11-13-16-12(17-21-13)9-10-18(7-3)8-4/h5-11H2,1-4H3,(H,19,20)
InChIKeyNFCSBACYAVYLFF-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.39
Rot. Bonds10

About 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid

2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid (PubChem CID 43471037) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
PubChem CID43471037
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
SMILESCCN(CC)CCc1noc(CC(CC)(CC)C(=O)O)n1
InChIInChI=1S/C15H27N3O3/c1-5-15(6-2,14(19)20)11-13-16-12(17-21-13)9-10-18(7-3)8-4/h5-11H2,1-4H3,(H,19,20)
InChIKeyNFCSBACYAVYLFF-UHFFFAOYSA-N
XLogP2.39
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-Dimethylethyl)-1,2,4-oxadiazole-5-propanoic acid
CID 33789418
2,3-Dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 61392824
2-Ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 61392836
2-Ethyl-2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 79952976
2,3-Dimethyl-2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 79953875
2-Ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 82008477
2,3-Dimethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 82008478
2-[[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
CID 103146500
3-[3-(1-Methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343104
Methyl 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343186
3-[3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343334
3-[3-(1-Methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343383

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid (CID 43471037) is 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid is CCN(CC)CCc1noc(CC(CC)(CC)C(=O)O)n1.
What is the InChIKey of 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid?
The InChIKey is NFCSBACYAVYLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-15(6-2,14(19)20)11-13-16-12(17-21-13)9-10-18(7-3)8-4/h5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid?
2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid has a molecular weight of 297.40 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 43471037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).