2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

C16H21N3O2 — CID 47012753

IUPAC2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCC1CN(C(C)c2nc(-c3ccccc3)no2)CC(C)O1
InChIInChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)20-11)13(3)16-17-15(18-21-16)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3
InChIKeyKAXZCUWJPIIBFE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.91
Rot. Bonds3

About 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (PubChem CID 47012753) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
PubChem CID47012753
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCC1CN(C(C)c2nc(-c3ccccc3)no2)CC(C)O1
InChIInChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)20-11)13(3)16-17-15(18-21-16)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3
InChIKeyKAXZCUWJPIIBFE-UHFFFAOYSA-N
XLogP2.91
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (CID 47012753) is 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is CC1CN(C(C)c2nc(-c3ccccc3)no2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The InChIKey is KAXZCUWJPIIBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)20-11)13(3)16-17-15(18-21-16)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine has a molecular weight of 287.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 47012753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).