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

C20H27N3O2 — CID 56775620

IUPAC3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine
SMILESCN(Cc1ccccc1)Cc1cc(CC2(NC3CCC3)COC2)no1
InChIInChI=1S/C20H27N3O2/c1-23(12-16-6-3-2-4-7-16)13-19-10-18(22-25-19)11-20(14-24-15-20)21-17-8-5-9-17/h2-4,6-7,10,17,21H,5,8-9,11-15H2,1H3
InChIKeyCIQGQHSYAVXOHG-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.76
Rot. Bonds8

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

3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine (PubChem CID 56775620) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine.

Molecular Properties

Compound Name3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine
PubChem CID56775620
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine
SMILESCN(Cc1ccccc1)Cc1cc(CC2(NC3CCC3)COC2)no1
InChIInChI=1S/C20H27N3O2/c1-23(12-16-6-3-2-4-7-16)13-19-10-18(22-25-19)11-20(14-24-15-20)21-17-8-5-9-17/h2-4,6-7,10,17,21H,5,8-9,11-15H2,1H3
InChIKeyCIQGQHSYAVXOHG-UHFFFAOYSA-N
XLogP2.76
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.76
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]-N-cyclobutyloxetan-3-amine?
The IUPAC name of 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine (CID 56775620) is 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine.
What is the SMILES notation for 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine?
The canonical SMILES for 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine is CN(Cc1ccccc1)Cc1cc(CC2(NC3CCC3)COC2)no1.
What is the InChIKey of 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine?
The InChIKey is CIQGQHSYAVXOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23(12-16-6-3-2-4-7-16)13-19-10-18(22-25-19)11-20(14-24-15-20)21-17-8-5-9-17/h2-4,6-7,10,17,21H,5,8-9,11-15H2,1H3.
What are the key properties of 3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine?
3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyloxetan-3-amine has a molecular weight of 341.45 g/mol, XLogP of 2.76, 8 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]-N-cyclobutyloxetan-3-amine is sourced from PubChem (CID 56775620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).