N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine

C11H19N3O — CID 115083440

IUPACN-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(CC2CCCNC2)n1
InChIInChI=1S/C11H19N3O/c1-12-7-10-8-15-11(14-10)5-9-3-2-4-13-6-9/h8-9,12-13H,2-7H2,1H3
InChIKeyVXMAKZMVGWQLIM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds4

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

N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 115083440) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID115083440
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(CC2CCCNC2)n1
InChIInChI=1S/C11H19N3O/c1-12-7-10-8-15-11(14-10)5-9-3-2-4-13-6-9/h8-9,12-13H,2-7H2,1H3
InChIKeyVXMAKZMVGWQLIM-UHFFFAOYSA-N
XLogP0.94
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083426
N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115082516
N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083120
4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole
CID 83484491
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115087985
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
CID 84665659
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine (CID 115083440) is N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine is CNCc1coc(CC2CCCNC2)n1.
What is the InChIKey of N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is VXMAKZMVGWQLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-7-10-8-15-11(14-10)5-9-3-2-4-13-6-9/h8-9,12-13H,2-7H2,1H3.
What are the key properties of N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115083440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).