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

C11H15N3O3 — CID 64968288

IUPAC3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
SMILESCc1cc(CN2CC(=O)NC(C)(C)C2=O)on1
InChIInChI=1S/C11H15N3O3/c1-7-4-8(17-13-7)5-14-6-9(15)12-11(2,3)10(14)16/h4H,5-6H2,1-3H3,(H,12,15)
InChIKeyPAJCFEQIXBIQJG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.22
Rot. Bonds2

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

3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 64968288) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID64968288
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
SMILESCc1cc(CN2CC(=O)NC(C)(C)C2=O)on1
InChIInChI=1S/C11H15N3O3/c1-7-4-8(17-13-7)5-14-6-9(15)12-11(2,3)10(14)16/h4H,5-6H2,1-3H3,(H,12,15)
InChIKeyPAJCFEQIXBIQJG-UHFFFAOYSA-N
XLogP0.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione (CID 64968288) is 3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione is Cc1cc(CN2CC(=O)NC(C)(C)C2=O)on1.
What is the InChIKey of 3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is PAJCFEQIXBIQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-8(17-13-7)5-14-6-9(15)12-11(2,3)10(14)16/h4H,5-6H2,1-3H3,(H,12,15).
What are the key properties of 3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?
3,3-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 237.26 g/mol, XLogP of 0.22, 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-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64968288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).