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

C15H26N4O3 — CID 75443112

IUPAC3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one
SMILESCC(C)c1nc(CNC(C(=O)N2CCOCC2)C(C)C)no1
InChIInChI=1S/C15H26N4O3/c1-10(2)13(15(20)19-5-7-21-8-6-19)16-9-12-17-14(11(3)4)22-18-12/h10-11,13,16H,5-9H2,1-4H3
InChIKeyVNMNPPQQGLKXOQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.17
Rot. Bonds6

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

3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one (PubChem CID 75443112) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one
PubChem CID75443112
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one
SMILESCC(C)c1nc(CNC(C(=O)N2CCOCC2)C(C)C)no1
InChIInChI=1S/C15H26N4O3/c1-10(2)13(15(20)19-5-7-21-8-6-19)16-9-12-17-14(11(3)4)22-18-12/h10-11,13,16H,5-9H2,1-4H3
InChIKeyVNMNPPQQGLKXOQ-UHFFFAOYSA-N
XLogP1.17
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one?
The IUPAC name of 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one (CID 75443112) is 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one.
What is the SMILES notation for 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one?
The canonical SMILES for 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one is CC(C)c1nc(CNC(C(=O)N2CCOCC2)C(C)C)no1.
What is the InChIKey of 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one?
The InChIKey is VNMNPPQQGLKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10(2)13(15(20)19-5-7-21-8-6-19)16-9-12-17-14(11(3)4)22-18-12/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one?
3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one has a molecular weight of 310.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-morpholin-4-yl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-one is sourced from PubChem (CID 75443112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).