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

C11H19N3O2 — CID 20785846

IUPAC4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCC(C)(C)c1noc(CN2CCOCC2)n1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)10-12-9(16-13-10)8-14-4-6-15-7-5-14/h4-8H2,1-3H3
InChIKeyOFCNYGHFOYWBBL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds2

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

4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (PubChem CID 20785846) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
PubChem CID20785846
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCC(C)(C)c1noc(CN2CCOCC2)n1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)10-12-9(16-13-10)8-14-4-6-15-7-5-14/h4-8H2,1-3H3
InChIKeyOFCNYGHFOYWBBL-UHFFFAOYSA-N
XLogP1.20
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (CID 20785846) is 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is CC(C)(C)c1noc(CN2CCOCC2)n1.
What is the InChIKey of 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The InChIKey is OFCNYGHFOYWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)10-12-9(16-13-10)8-14-4-6-15-7-5-14/h4-8H2,1-3H3.
What are the key properties of 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine has a molecular weight of 225.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 20785846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).