2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C11H21N3O2 — CID 116702842

IUPAC2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CN)c1nc(C(OC)C(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-5-8(6-12)11-13-10(14-16-11)9(15-4)7(2)3/h7-9H,5-6,12H2,1-4H3
InChIKeyXWSQYSABDHPUCV-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.87
Rot. Bonds6

About 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 116702842) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID116702842
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CN)c1nc(C(OC)C(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-5-8(6-12)11-13-10(14-16-11)9(15-4)7(2)3/h7-9H,5-6,12H2,1-4H3
InChIKeyXWSQYSABDHPUCV-UHFFFAOYSA-N
XLogP1.87
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 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

3-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732859
(1R)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909625
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
ethyl 5-(1-aminobutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631699
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733392
4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905819
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963887
5-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 116702991
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894821
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 116703243
ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 116704869

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 116702842) is 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC(CN)c1nc(C(OC)C(C)C)no1.
What is the InChIKey of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is XWSQYSABDHPUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-8(6-12)11-13-10(14-16-11)9(15-4)7(2)3/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116702842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).