N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

C12H21N3O — CID 106369735

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCc1cnc(CNCC2CCCCN2C)o1
InChIInChI=1S/C12H21N3O/c1-10-7-14-12(16-10)9-13-8-11-5-3-4-6-15(11)2/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyXJMMVKUAYKMRDM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (PubChem CID 106369735) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
PubChem CID106369735
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCc1cnc(CNCC2CCCCN2C)o1
InChIInChI=1S/C12H21N3O/c1-10-7-14-12(16-10)9-13-8-11-5-3-4-6-15(11)2/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyXJMMVKUAYKMRDM-UHFFFAOYSA-N
XLogP1.56
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]pyridin-3-ol
CID 116686364
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
CID 106377863
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 66133644
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 106369698
1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895129
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114075415
2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103244476
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106862534

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (CID 106369735) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is Cc1cnc(CNCC2CCCCN2C)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The InChIKey is XJMMVKUAYKMRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-7-14-12(16-10)9-13-8-11-5-3-4-6-15(11)2/h7,11,13H,3-6,8-9H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 106369735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).