5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one

C9H13N3O2 — CID 112545729

IUPAC5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one
SMILESCc1oncc1C1(C)CNC(=O)CN1
InChIInChI=1S/C9H13N3O2/c1-6-7(3-12-14-6)9(2)5-10-8(13)4-11-9/h3,11H,4-5H2,1-2H3,(H,10,13)
InChIKeySEVJIYYJIZTRSL-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.08
Rot. Bonds1

About 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one

5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one (PubChem CID 112545729) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one
PubChem CID112545729
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one
SMILESCc1oncc1C1(C)CNC(=O)CN1
InChIInChI=1S/C9H13N3O2/c1-6-7(3-12-14-6)9(2)5-10-8(13)4-11-9/h3,11H,4-5H2,1-2H3,(H,10,13)
InChIKeySEVJIYYJIZTRSL-UHFFFAOYSA-N
XLogP-0.08
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one?
The IUPAC name of 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one (CID 112545729) is 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one.
What is the SMILES notation for 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one?
The canonical SMILES for 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one is Cc1oncc1C1(C)CNC(=O)CN1.
What is the InChIKey of 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one?
The InChIKey is SEVJIYYJIZTRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-7(3-12-14-6)9(2)5-10-8(13)4-11-9/h3,11H,4-5H2,1-2H3,(H,10,13).
What are the key properties of 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one?
5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one has a molecular weight of 195.22 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(5-methyl-1,2-oxazol-4-yl)piperazin-2-one is sourced from PubChem (CID 112545729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).