N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine

C12H19N3O — CID 114413080

IUPACN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CC=CCC2)on1
InChIInChI=1S/C12H19N3O/c1-2-13-9-11-8-12(16-14-11)10-15-6-4-3-5-7-15/h3-4,8,13H,2,5-7,9-10H2,1H3
InChIKeyRBBLXOLPXMYFPP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.55
Rot. Bonds5

About N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 114413080) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID114413080
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CC=CCC2)on1
InChIInChI=1S/C12H19N3O/c1-2-13-9-11-8-12(16-14-11)10-15-6-4-3-5-7-15/h3-4,8,13H,2,5-7,9-10H2,1H3
InChIKeyRBBLXOLPXMYFPP-UHFFFAOYSA-N
XLogP1.55
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 114413098
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62438314
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55070212
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 102746029
N-[[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62930641
N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63977574
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 102967913
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55074366
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 114413080) is N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN2CC=CCC2)on1.
What is the InChIKey of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is RBBLXOLPXMYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-13-9-11-8-12(16-14-11)10-15-6-4-3-5-7-15/h3-4,8,13H,2,5-7,9-10H2,1H3.
What are the key properties of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 221.30 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-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 114413080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).