N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine

C12H20N2O2 — CID 115083290

IUPACN-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(CC2CCCCO2)n1
InChIInChI=1S/C12H20N2O2/c1-13-6-5-10-9-16-12(14-10)8-11-4-2-3-7-15-11/h9,11,13H,2-8H2,1H3
InChIKeyLURKTKVLSGHYRH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.55
Rot. Bonds5

About N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine

N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 115083290) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID115083290
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(CC2CCCCO2)n1
InChIInChI=1S/C12H20N2O2/c1-13-6-5-10-9-16-12(14-10)8-11-4-2-3-7-15-11/h9,11,13H,2-8H2,1H3
InChIKeyLURKTKVLSGHYRH-UHFFFAOYSA-N
XLogP1.55
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555
2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
CID 115083248
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084221
1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
CID 115083047
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63952195
N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086199
N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115084790
N-methyl-3-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090865

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine (CID 115083290) is N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine is CNCCc1coc(CC2CCCCO2)n1.
What is the InChIKey of N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is LURKTKVLSGHYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-6-5-10-9-16-12(14-10)8-11-4-2-3-7-15-11/h9,11,13H,2-8H2,1H3.
What are the key properties of N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115083290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).