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

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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).