2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine

C11H18N4O2 — CID 79077939

IUPAC2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
SMILESCN1CCOC(c2noc(CC3CNC3)n2)C1
InChIInChI=1S/C11H18N4O2/c1-15-2-3-16-9(7-15)11-13-10(17-14-11)4-8-5-12-6-8/h8-9,12H,2-7H2,1H3
InChIKeyYYEXMOLKIWEOSS-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.17
Rot. Bonds3

About 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine

2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine (PubChem CID 79077939) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
PubChem CID79077939
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
SMILESCN1CCOC(c2noc(CC3CNC3)n2)C1
InChIInChI=1S/C11H18N4O2/c1-15-2-3-16-9(7-15)11-13-10(17-14-11)4-8-5-12-6-8/h8-9,12H,2-7H2,1H3
InChIKeyYYEXMOLKIWEOSS-UHFFFAOYSA-N
XLogP-0.17
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79078452
4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79658286
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
4-methyl-2-[5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79071496
5-(azetidin-3-ylmethyl)-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 176515488
2-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157800
1-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79089489
(2S)-2-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 97343741
(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 97343748
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79071831
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 79094042
2-[2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273778

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The IUPAC name of 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine (CID 79077939) is 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine.
What is the SMILES notation for 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The canonical SMILES for 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine is CN1CCOC(c2noc(CC3CNC3)n2)C1.
What is the InChIKey of 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The InChIKey is YYEXMOLKIWEOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-2-3-16-9(7-15)11-13-10(17-14-11)4-8-5-12-6-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine has a molecular weight of 238.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine is sourced from PubChem (CID 79077939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).