3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine

C16H21N3O2 — CID 77059031

IUPAC3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCN(Cc1ccccc1)Cc1cc(CC2(N)COC2)no1
InChIInChI=1S/C16H21N3O2/c1-19(9-13-5-3-2-4-6-13)10-15-7-14(18-21-15)8-16(17)11-20-12-16/h2-7H,8-12,17H2,1H3
InChIKeyNLRNBLONRZKZCV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.58
Rot. Bonds6

About 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine

3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 77059031) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound Name3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID77059031
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCN(Cc1ccccc1)Cc1cc(CC2(N)COC2)no1
InChIInChI=1S/C16H21N3O2/c1-19(9-13-5-3-2-4-6-13)10-15-7-14(18-21-15)8-16(17)11-20-12-16/h2-7H,8-12,17H2,1H3
InChIKeyNLRNBLONRZKZCV-UHFFFAOYSA-N
XLogP1.58
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-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-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine
CID 56775620
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine
CID 56774137
[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62434127
6-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-[(dimethylamino)methyl]oxan-3-ol
CID 163048202
5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 42122193
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62463600
N-[(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774136
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
CID 117038958
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 56759676

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 77059031) is 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine is CN(Cc1ccccc1)Cc1cc(CC2(N)COC2)no1.
What is the InChIKey of 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is NLRNBLONRZKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(9-13-5-3-2-4-6-13)10-15-7-14(18-21-15)8-16(17)11-20-12-16/h2-7H,8-12,17H2,1H3.
What are the key properties of 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 287.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 77059031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).