N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C15H28N4O — CID 79312573

IUPACN-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)CC2CCCN2CC)on1
InChIInChI=1S/C15H28N4O/c1-4-16-10-13-9-15(20-17-13)12-18(3)11-14-7-6-8-19(14)5-2/h9,14,16H,4-8,10-12H2,1-3H3
InChIKeyVSTYTQMLHJKGMR-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.70
Rot. Bonds8

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

N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 79312573) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID79312573
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)CC2CCCN2CC)on1
InChIInChI=1S/C15H28N4O/c1-4-16-10-13-9-15(20-17-13)12-18(3)11-14-7-6-8-19(14)5-2/h9,14,16H,4-8,10-12H2,1-3H3
InChIKeyVSTYTQMLHJKGMR-UHFFFAOYSA-N
XLogP1.70
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]methanamine
CID 79312500
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070927
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62889225
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62422427
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106906839
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64520685
N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 79312711
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 79312573) is N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN(C)CC2CCCN2CC)on1.
What is the InChIKey of N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is VSTYTQMLHJKGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-16-10-13-9-15(20-17-13)12-18(3)11-14-7-6-8-19(14)5-2/h9,14,16H,4-8,10-12H2,1-3H3.
What are the key properties of N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79312573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).