4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine

C12H21N3O2 — CID 116703444

IUPAC4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
SMILESCOC(c1noc(CCC(C)(C)N)n1)C1CC1
InChIInChI=1S/C12H21N3O2/c1-12(2,13)7-6-9-14-11(15-17-9)10(16-3)8-4-5-8/h8,10H,4-7,13H2,1-3H3
InChIKeyUJMMFDKDANQCIK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.84
Rot. Bonds6

About 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine

4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine (PubChem CID 116703444) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
PubChem CID116703444
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
SMILESCOC(c1noc(CCC(C)(C)N)n1)C1CC1
InChIInChI=1S/C12H21N3O2/c1-12(2,13)7-6-9-14-11(15-17-9)10(16-3)8-4-5-8/h8,10H,4-7,13H2,1-3H3
InChIKeyUJMMFDKDANQCIK-UHFFFAOYSA-N
XLogP1.84
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-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

5-(2-chloroethyl)-3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazole
CID 116701127
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116701700
2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116703530
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116743511
N-[3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 116703413
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743468
3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116743400
1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116732892
3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 116703367
N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 116703622
(1S)-2-amino-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107837305
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The IUPAC name of 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine (CID 116703444) is 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine is COC(c1noc(CCC(C)(C)N)n1)C1CC1.
What is the InChIKey of 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The InChIKey is UJMMFDKDANQCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,13)7-6-9-14-11(15-17-9)10(16-3)8-4-5-8/h8,10H,4-7,13H2,1-3H3.
What are the key properties of 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 116703444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).