N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine

C12H20N2O2 — CID 115086199

IUPACN-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC2CCCCO2)o1
InChIInChI=1S/C12H20N2O2/c1-9(13-2)11-8-14-12(16-11)7-10-5-3-4-6-15-10/h8-10,13H,3-7H2,1-2H3
InChIKeyFSTIRKBVDLUVQF-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds4

About N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine

N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115086199) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115086199
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC2CCCCO2)o1
InChIInChI=1S/C12H20N2O2/c1-9(13-2)11-8-14-12(16-11)7-10-5-3-4-6-15-10/h8-10,13H,3-7H2,1-2H3
InChIKeyFSTIRKBVDLUVQF-UHFFFAOYSA-N
XLogP2.07
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085884
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylethanamine
CID 115086201
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078191
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62754771
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090839
N-[[2-(oxan-2-ylmethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 113391724
2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090950
2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
CID 115083248
N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115083290
1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821
1-[5-(oxolan-2-ylmethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178634

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine (CID 115086199) is N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine is CNC(C)c1cnc(CC2CCCCO2)o1.
What is the InChIKey of N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is FSTIRKBVDLUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(13-2)11-8-14-12(16-11)7-10-5-3-4-6-15-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 224.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115086199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).