3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione

C12H17N3O3 — CID 106390009

IUPAC3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1cnc(C(C)N2CC(=O)NC(C)(C)C2=O)o1
InChIInChI=1S/C12H17N3O3/c1-7-5-13-10(18-7)8(2)15-6-9(16)14-12(3,4)11(15)17/h5,8H,6H2,1-4H3,(H,14,16)
InChIKeyMLASRTCABHSTMH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.78
Rot. Bonds2

About 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione

3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 106390009) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID106390009
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1cnc(C(C)N2CC(=O)NC(C)(C)C2=O)o1
InChIInChI=1S/C12H17N3O3/c1-7-5-13-10(18-7)8(2)15-6-9(16)14-12(3,4)11(15)17/h5,8H,6H2,1-4H3,(H,14,16)
InChIKeyMLASRTCABHSTMH-UHFFFAOYSA-N
XLogP0.78
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione (CID 106390009) is 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione is Cc1cnc(C(C)N2CC(=O)NC(C)(C)C2=O)o1.
What is the InChIKey of 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is MLASRTCABHSTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-5-13-10(18-7)8(2)15-6-9(16)14-12(3,4)11(15)17/h5,8H,6H2,1-4H3,(H,14,16).
What are the key properties of 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione?
3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 251.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106390009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).