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

C13H23N3O2 — CID 47022607

IUPAC2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCC1CN(C(C)c2nc(C(C)C)no2)CC(C)O1
InChIInChI=1S/C13H23N3O2/c1-8(2)12-14-13(18-15-12)11(5)16-6-9(3)17-10(4)7-16/h8-11H,6-7H2,1-5H3
InChIKeyPLWANGSCPJFBOH-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.36
Rot. Bonds3

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

2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (PubChem CID 47022607) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
PubChem CID47022607
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCC1CN(C(C)c2nc(C(C)C)no2)CC(C)O1
InChIInChI=1S/C13H23N3O2/c1-8(2)12-14-13(18-15-12)11(5)16-6-9(3)17-10(4)7-16/h8-11H,6-7H2,1-5H3
InChIKeyPLWANGSCPJFBOH-UHFFFAOYSA-N
XLogP2.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.36
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-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (CID 47022607) is 2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is CC1CN(C(C)c2nc(C(C)C)no2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The InChIKey is PLWANGSCPJFBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)12-14-13(18-15-12)11(5)16-6-9(3)17-10(4)7-16/h8-11H,6-7H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
2,6-dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine has a molecular weight of 253.35 g/mol, XLogP of 2.36, 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-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 47022607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).