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

C11H19N3O2 — CID 79405738

IUPAC2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCCCCc1noc(CC2CNCCO2)n1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-10-13-11(16-14-10)7-9-8-12-5-6-15-9/h9,12H,2-8H2,1H3
InChIKeyDWCMVUCANVIMFG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.94
Rot. Bonds5

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

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (PubChem CID 79405738) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
PubChem CID79405738
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCCCCc1noc(CC2CNCCO2)n1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-10-13-11(16-14-10)7-9-8-12-5-6-15-9/h9,12H,2-8H2,1H3
InChIKeyDWCMVUCANVIMFG-UHFFFAOYSA-N
XLogP0.94
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (CID 79405738) is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is CCCCc1noc(CC2CNCCO2)n1.
What is the InChIKey of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The InChIKey is DWCMVUCANVIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-4-10-13-11(16-14-10)7-9-8-12-5-6-15-9/h9,12H,2-8H2,1H3.
What are the key properties of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine has a molecular weight of 225.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 79405738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).