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

C12H21N3O — CID 115086366

IUPACN-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC2CCCNC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13-2)11-8-15-12(16-11)6-10-4-3-5-14-7-10/h8-10,13-14H,3-7H2,1-2H3
InChIKeyJGXBHWDBSQOMPX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds4

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

N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115086366) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115086366
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC2CCCNC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13-2)11-8-15-12(16-11)6-10-4-3-5-14-7-10/h8-10,13-14H,3-7H2,1-2H3
InChIKeyJGXBHWDBSQOMPX-UHFFFAOYSA-N
XLogP1.50
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
CID 84665659
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol
CID 115085252
N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086199
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085300
2-(azepan-3-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 84688684
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085410
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083440
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 106388979
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221782

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine (CID 115086366) is N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine is CNC(C)c1cnc(CC2CCCNC2)o1.
What is the InChIKey of N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is JGXBHWDBSQOMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(13-2)11-8-15-12(16-11)6-10-4-3-5-14-7-10/h8-10,13-14H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.50, 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-5-yl]ethanamine is sourced from PubChem (CID 115086366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).