N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C12H21N3O2 — CID 55074366

IUPACN-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCOCC2C)on1
InChIInChI=1S/C12H21N3O2/c1-3-13-7-11-6-12(17-14-11)8-15-4-5-16-9-10(15)2/h6,10,13H,3-5,7-9H2,1-2H3
InChIKeyKOJZFKWSFCJBMU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.00
Rot. Bonds5

About N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 55074366) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID55074366
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCOCC2C)on1
InChIInChI=1S/C12H21N3O2/c1-3-13-7-11-6-12(17-14-11)8-15-4-5-16-9-10(15)2/h6,10,13H,3-5,7-9H2,1-2H3
InChIKeyKOJZFKWSFCJBMU-UHFFFAOYSA-N
XLogP1.00
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55070212
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62438314
N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62420823
N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 114413080
N-[[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62438242
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 102967913
N-ethyl-6-methyl-2-[(3-methylmorpholin-4-yl)methyl]pyrimidin-4-amine
CID 80657828
N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63977574
N-[[4-(3-methylmorpholin-4-yl)quinolin-2-yl]methyl]ethanamine
CID 63374484
N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62424914
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 102746029

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 55074366) is N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN2CCOCC2C)on1.
What is the InChIKey of N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is KOJZFKWSFCJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-13-7-11-6-12(17-14-11)8-15-4-5-16-9-10(15)2/h6,10,13H,3-5,7-9H2,1-2H3.
What are the key properties of N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 55074366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).