2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine

C11H20N4O3 — CID 125436186

IUPAC2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
SMILESCOCc1noc(CN2CCO[C@@H](CCN)C2)n1
InChIInChI=1S/C11H20N4O3/c1-16-8-10-13-11(18-14-10)7-15-4-5-17-9(6-15)2-3-12/h9H,2-8,12H2,1H3/t9-/m0/s1
InChIKeyIBGFRKOONRCUBV-VIFPVBQESA-N
MW256.31 g/mol
LogP-0.23
Rot. Bonds6

About 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine

2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine (PubChem CID 125436186) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
PubChem CID125436186
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
SMILESCOCc1noc(CN2CCO[C@@H](CCN)C2)n1
InChIInChI=1S/C11H20N4O3/c1-16-8-10-13-11(18-14-10)7-15-4-5-17-9(6-15)2-3-12/h9H,2-8,12H2,1H3/t9-/m0/s1
InChIKeyIBGFRKOONRCUBV-VIFPVBQESA-N
XLogP-0.23
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine with MolForge

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Related Compounds

(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 124619834
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
CID 79827344
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 114395112
(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95283706
(2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine
CID 155509779
4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methyltetrazol-5-yl)morpholine
CID 163306571
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 122567646
3-(cyclopropylmethyl)-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45214637
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401133
3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine (CID 125436186) is 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine is COCc1noc(CN2CCO[C@@H](CCN)C2)n1.
What is the InChIKey of 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine?
The InChIKey is IBGFRKOONRCUBV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O3/c1-16-8-10-13-11(18-14-10)7-15-4-5-17-9(6-15)2-3-12/h9H,2-8,12H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine?
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 125436186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).