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

C16H23N5O3 — CID 22969719

IUPAC3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one
SMILESCCC(C(C)=O)n1cc(C(C)C)nc(NCc2nonc2C)c1=O
InChIInChI=1S/C16H23N5O3/c1-6-14(11(5)22)21-8-13(9(2)3)18-15(16(21)23)17-7-12-10(4)19-24-20-12/h8-9,14H,6-7H2,1-5H3,(H,17,18)
InChIKeyAEEXETWZFMRQFF-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.21
Rot. Bonds7

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

3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one (PubChem CID 22969719) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one
PubChem CID22969719
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one
SMILESCCC(C(C)=O)n1cc(C(C)C)nc(NCc2nonc2C)c1=O
InChIInChI=1S/C16H23N5O3/c1-6-14(11(5)22)21-8-13(9(2)3)18-15(16(21)23)17-7-12-10(4)19-24-20-12/h8-9,14H,6-7H2,1-5H3,(H,17,18)
InChIKeyAEEXETWZFMRQFF-UHFFFAOYSA-N
XLogP2.21
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one (CID 22969719) is 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one is CCC(C(C)=O)n1cc(C(C)C)nc(NCc2nonc2C)c1=O.
What is the InChIKey of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one?
The InChIKey is AEEXETWZFMRQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-6-14(11(5)22)21-8-13(9(2)3)18-15(16(21)23)17-7-12-10(4)19-24-20-12/h8-9,14H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one?
3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one has a molecular weight of 333.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 22969719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).