N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine

C12H21N3O2 — CID 113377733

IUPACN-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(N2CCOCC2(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-4-13-7-10-8-17-11(14-10)15-5-6-16-9-12(15,2)3/h8,13H,4-7,9H2,1-3H3
InChIKeyMUSSLAJZLDPQFG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.40
Rot. Bonds4

About N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 113377733) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID113377733
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(N2CCOCC2(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-4-13-7-10-8-17-11(14-10)15-5-6-16-9-12(15,2)3/h8,13H,4-7,9H2,1-3H3
InChIKeyMUSSLAJZLDPQFG-UHFFFAOYSA-N
XLogP1.40
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-chloro-6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine
CID 62293153
N-[[2-(3-methoxypyrrolidin-1-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 103539392
N-[[2-(3,3-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510218
N-[[5-chloro-2-(3,3-dimethylmorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 114926070
N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62463271
1-[6-(3,3-dimethylmorpholin-4-yl)pyridazin-3-yl]-N-methylmethanamine
CID 62287376
N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55112409
N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293152
4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine
CID 62254126
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 103503007
2-cyclopropyl-6-(3,3-dimethylmorpholin-4-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80986182
N-[[6-[(3,3-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906337

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 113377733) is N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1coc(N2CCOCC2(C)C)n1.
What is the InChIKey of N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is MUSSLAJZLDPQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-13-7-10-8-17-11(14-10)15-5-6-16-9-12(15,2)3/h8,13H,4-7,9H2,1-3H3.
What are the key properties of N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 113377733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).