3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione

C11H16N4O3 — CID 114185250

IUPAC3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(Cc2noc(C)n2)C1=O
InChIInChI=1S/C11H16N4O3/c1-3-8-11(17)15(5-4-10(16)13-8)6-9-12-7(2)18-14-9/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyZWKKOGCUPDNSNC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.01
Rot. Bonds3

About 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione

3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 114185250) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione
PubChem CID114185250
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(Cc2noc(C)n2)C1=O
InChIInChI=1S/C11H16N4O3/c1-3-8-11(17)15(5-4-10(16)13-8)6-9-12-7(2)18-14-9/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyZWKKOGCUPDNSNC-UHFFFAOYSA-N
XLogP0.01
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106421910
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 79238567
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
3-(methylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 106408287
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64957599
3-ethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 114957747
3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 114185131
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64967743
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 106409186

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione (CID 114185250) is 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(Cc2noc(C)n2)C1=O.
What is the InChIKey of 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is ZWKKOGCUPDNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-8-11(17)15(5-4-10(16)13-8)6-9-12-7(2)18-14-9/h8H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione?
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 114185250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).