1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C15H23N3O3 — CID 106376914

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCc1cnc(CN2C(=O)C(CC(C)C)NC(=O)C2C)o1
InChIInChI=1S/C15H23N3O3/c1-5-11-7-16-13(21-11)8-18-10(4)14(19)17-12(15(18)20)6-9(2)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyQNYMCAIAJAKXIQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.50
Rot. Bonds5

About 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 106376914) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID106376914
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCc1cnc(CN2C(=O)C(CC(C)C)NC(=O)C2C)o1
InChIInChI=1S/C15H23N3O3/c1-5-11-7-16-13(21-11)8-18-10(4)14(19)17-12(15(18)20)6-9(2)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyQNYMCAIAJAKXIQ-UHFFFAOYSA-N
XLogP1.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106376935
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702109
1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902675
1-[(4-bromothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901145
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 64968810
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962323
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 106045989

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 106376914) is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CCc1cnc(CN2C(=O)C(CC(C)C)NC(=O)C2C)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is QNYMCAIAJAKXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-11-7-16-13(21-11)8-18-10(4)14(19)17-12(15(18)20)6-9(2)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,17,19).
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 106376914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).