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

C10H16N2O3 — CID 43471079

IUPAC2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(C)no1)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-4-10(5-2,9(13)14)6-8-11-7(3)12-15-8/h4-6H2,1-3H3,(H,13,14)
InChIKeyRSJRREJBPNHZRS-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.81
Rot. Bonds5

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

2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid (PubChem CID 43471079) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
PubChem CID43471079
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(C)no1)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-4-10(5-2,9(13)14)6-8-11-7(3)12-15-8/h4-6H2,1-3H3,(H,13,14)
InChIKeyRSJRREJBPNHZRS-UHFFFAOYSA-N
XLogP1.81
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 103473235
2-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
CID 106814863
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 65302481
(2R)-2-amino-3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanoic acid
CID 106442211
(2S)-2-amino-3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanoic acid
CID 106443013
2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 143718663
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate
CID 60561980
5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide
CID 22912833
2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 114291364
2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
CID 115429755
3,3,3-trifluoro-2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 79795813

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid (CID 43471079) is 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid is CCC(CC)(Cc1nc(C)no1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid?
The InChIKey is RSJRREJBPNHZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-10(5-2,9(13)14)6-8-11-7(3)12-15-8/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid?
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid is sourced from PubChem (CID 43471079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).