[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine

C13H22N4O3 — CID 115440178

IUPAC[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCN1CCOC(c2noc(C3(CN)CCOCC3)n2)C1
InChIInChI=1S/C13H22N4O3/c1-17-4-7-19-10(8-17)11-15-12(20-16-11)13(9-14)2-5-18-6-3-13/h10H,2-9,14H2,1H3
InChIKeyWBWWNFWOBFSIIZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.08
Rot. Bonds3

About [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine

[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (PubChem CID 115440178) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
PubChem CID115440178
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCN1CCOC(c2noc(C3(CN)CCOCC3)n2)C1
InChIInChI=1S/C13H22N4O3/c1-17-4-7-19-10(8-17)11-15-12(20-16-11)13(9-14)2-5-18-6-3-13/h10H,2-9,14H2,1H3
InChIKeyWBWWNFWOBFSIIZ-UHFFFAOYSA-N
XLogP0.08
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine with MolForge

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Related Compounds

1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 113309256
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440194
2-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157800
(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899550
2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 79077939
[4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 103344447
3-methyl-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078448
cis-(1S,3R)-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323443
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
2-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 79077935

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (CID 115440178) is [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is CN1CCOC(c2noc(C3(CN)CCOCC3)n2)C1.
What is the InChIKey of [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The InChIKey is WBWWNFWOBFSIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-17-4-7-19-10(8-17)11-15-12(20-16-11)13(9-14)2-5-18-6-3-13/h10H,2-9,14H2,1H3.
What are the key properties of [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine has a molecular weight of 282.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 115440178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).