3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine

C14H25N3O2 — CID 56775440

IUPAC3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine
SMILESCC(C)CNC1(Cc2cc(CN(C)C)on2)COC1
InChIInChI=1S/C14H25N3O2/c1-11(2)7-15-14(9-18-10-14)6-12-5-13(19-16-12)8-17(3)4/h5,11,15H,6-10H2,1-4H3
InChIKeyXBASEFVFRBITOS-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.29
Rot. Bonds7

About 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine

3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine (PubChem CID 56775440) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine.

Molecular Properties

Compound Name3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine
PubChem CID56775440
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine
SMILESCC(C)CNC1(Cc2cc(CN(C)C)on2)COC1
InChIInChI=1S/C14H25N3O2/c1-11(2)7-15-14(9-18-10-14)6-12-5-13(19-16-12)8-17(3)4/h5,11,15H,6-10H2,1-4H3
InChIKeyXBASEFVFRBITOS-UHFFFAOYSA-N
XLogP1.29
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine?
The IUPAC name of 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine (CID 56775440) is 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine.
What is the SMILES notation for 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine?
The canonical SMILES for 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine is CC(C)CNC1(Cc2cc(CN(C)C)on2)COC1.
What is the InChIKey of 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine?
The InChIKey is XBASEFVFRBITOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)7-15-14(9-18-10-14)6-12-5-13(19-16-12)8-17(3)4/h5,11,15H,6-10H2,1-4H3.
What are the key properties of 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine?
3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine has a molecular weight of 267.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-(2-methylpropyl)oxetan-3-amine is sourced from PubChem (CID 56775440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).