3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one

C13H22N4O3 — CID 84598800

IUPAC3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one
SMILESCc1nc(CNC(C(=O)N2CCOCC2)C(C)C)no1
InChIInChI=1S/C13H22N4O3/c1-9(2)12(13(18)17-4-6-19-7-5-17)14-8-11-15-10(3)20-16-11/h9,12,14H,4-8H2,1-3H3
InChIKeyGDDFNUYWIFZRTR-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.35
Rot. Bonds5

About 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one

3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one (PubChem CID 84598800) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one
PubChem CID84598800
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one
SMILESCc1nc(CNC(C(=O)N2CCOCC2)C(C)C)no1
InChIInChI=1S/C13H22N4O3/c1-9(2)12(13(18)17-4-6-19-7-5-17)14-8-11-15-10(3)20-16-11/h9,12,14H,4-8H2,1-3H3
InChIKeyGDDFNUYWIFZRTR-UHFFFAOYSA-N
XLogP0.35
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one (CID 84598800) is 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one is Cc1nc(CNC(C(=O)N2CCOCC2)C(C)C)no1.
What is the InChIKey of 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is GDDFNUYWIFZRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)12(13(18)17-4-6-19-7-5-17)14-8-11-15-10(3)20-16-11/h9,12,14H,4-8H2,1-3H3.
What are the key properties of 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one?
3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 282.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 84598800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).