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

C13H22N2O3 — CID 43471062

IUPAC2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(CC(C)C)no1)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-5-13(6-2,12(16)17)8-11-14-10(15-18-11)7-9(3)4/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyOHDSDBVCFJNZNM-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.70
Rot. Bonds7

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

2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (PubChem CID 43471062) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
PubChem CID43471062
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(CC(C)C)no1)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-5-13(6-2,12(16)17)8-11-14-10(15-18-11)7-9(3)4/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyOHDSDBVCFJNZNM-UHFFFAOYSA-N
XLogP2.70
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid with MolForge

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Related Compounds

3-Methyl-1,2,4-oxadiazole-5-propanoic acid
CID 16227880
3-(3-Ethyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 25775423
3-(3-Propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 16227959
3-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 25775425
3-(1,1-Dimethylethyl)-1,2,4-oxadiazole-5-propanoic acid
CID 33789418
3-(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 60922559
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
2,2-Dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 64835004
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
2,2-Dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 79954583

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (CID 43471062) is 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is CCC(CC)(Cc1nc(CC(C)C)no1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The InChIKey is OHDSDBVCFJNZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-13(6-2,12(16)17)8-11-14-10(15-18-11)7-9(3)4/h9H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid has a molecular weight of 254.33 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is sourced from PubChem (CID 43471062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).