2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C11H19N3O3 — CID 66434616

IUPAC2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCCCOCc1noc(CC2CNCCO2)n1
InChIInChI=1S/C11H19N3O3/c1-2-4-15-8-10-13-11(17-14-10)6-9-7-12-3-5-16-9/h9,12H,2-8H2,1H3
InChIKeyVKPGDKRKJRFTFK-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.53
Rot. Bonds6

About 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 66434616) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID66434616
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCCCOCc1noc(CC2CNCCO2)n1
InChIInChI=1S/C11H19N3O3/c1-2-4-15-8-10-13-11(17-14-10)6-9-7-12-3-5-16-9/h9,12H,2-8H2,1H3
InChIKeyVKPGDKRKJRFTFK-UHFFFAOYSA-N
XLogP0.53
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 66434031
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 79405738
5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 62310459
5-propyl-3-(2-pyrrolidin-3-ylethoxymethyl)-1,2,4-oxadiazole
CID 114796047
(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434620
2-(2-propoxyethoxymethyl)morpholine
CID 64534869
2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride
CID 119948005
2-[[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 116743116
2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66435007
2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66433459

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 66434616) is 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is CCCOCc1noc(CC2CNCCO2)n1.
What is the InChIKey of 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is VKPGDKRKJRFTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-4-15-8-10-13-11(17-14-10)6-9-7-12-3-5-16-9/h9,12H,2-8H2,1H3.
What are the key properties of 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 241.29 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 66434616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).