4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine

C11H21N3O2 — CID 65093589

IUPAC4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1nc(CCCOC)no1
InChIInChI=1S/C11H21N3O2/c1-9(12-2)6-7-11-13-10(14-16-11)5-4-8-15-3/h9,12H,4-8H2,1-3H3
InChIKeyYVIBJEPETLICQP-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.19
Rot. Bonds8

About 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine

4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (PubChem CID 65093589) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
PubChem CID65093589
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1nc(CCCOC)no1
InChIInChI=1S/C11H21N3O2/c1-9(12-2)6-7-11-13-10(14-16-11)5-4-8-15-3/h9,12H,4-8H2,1-3H3
InChIKeyYVIBJEPETLICQP-UHFFFAOYSA-N
XLogP1.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-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

4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65093742
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82688702
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65094639
N-methyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350502
1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65093584
4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79195004
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 65095005
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264295
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 102926746
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 61412908

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The IUPAC name of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (CID 65093589) is 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is CNC(C)CCc1nc(CCCOC)no1.
What is the InChIKey of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The InChIKey is YVIBJEPETLICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(12-2)6-7-11-13-10(14-16-11)5-4-8-15-3/h9,12H,4-8H2,1-3H3.
What are the key properties of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is sourced from PubChem (CID 65093589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).