3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione

C13H19N3O3 — CID 106422209

IUPAC3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(Cc2ccno2)C1=O
InChIInChI=1S/C13H19N3O3/c1-4-8(2)11-13(18)16(9(3)12(17)15-11)7-10-5-6-14-19-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,15,17)
InChIKeyLTNFGGZDDMWEMT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.94
Rot. Bonds4

About 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione

3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 106422209) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID106422209
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(Cc2ccno2)C1=O
InChIInChI=1S/C13H19N3O3/c1-4-8(2)11-13(18)16(9(3)12(17)15-11)7-10-5-6-14-19-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,15,17)
InChIKeyLTNFGGZDDMWEMT-UHFFFAOYSA-N
XLogP0.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64901564
3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64902888
3-butan-2-yl-1-[(2-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64901749
3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64901941
3-butan-2-yl-1-(2,3-dimethylbutyl)-6-methylpiperazine-2,5-dione
CID 64973180
3-butan-2-yl-6-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290775
3-butan-2-yl-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-2,5-dione
CID 106421974
3-butan-2-yl-1-[(E)-but-2-enyl]-6-methylpiperazine-2,5-dione
CID 114013986
3-methyl-2-(1,2-oxazol-5-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106422203
3-butan-2-yl-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422102
3-butan-2-yl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733586
1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64872478

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione (CID 106422209) is 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(C)N(Cc2ccno2)C1=O.
What is the InChIKey of 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is LTNFGGZDDMWEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-8(2)11-13(18)16(9(3)12(17)15-11)7-10-5-6-14-19-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,15,17).
What are the key properties of 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione?
3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 265.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 106422209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).