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

C12H18N4O3 — CID 106421910

IUPAC3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(CCc2noc(C)n2)C1=O
InChIInChI=1S/C12H18N4O3/c1-3-9-12(18)16(7-5-11(17)14-9)6-4-10-13-8(2)19-15-10/h9H,3-7H2,1-2H3,(H,14,17)
InChIKeyCYCITLBKLSZCNE-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.05
Rot. Bonds4

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

3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione (PubChem CID 106421910) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
PubChem CID106421910
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(CCc2noc(C)n2)C1=O
InChIInChI=1S/C12H18N4O3/c1-3-9-12(18)16(7-5-11(17)14-9)6-4-10-13-8(2)19-15-10/h9H,3-7H2,1-2H3,(H,14,17)
InChIKeyCYCITLBKLSZCNE-UHFFFAOYSA-N
XLogP0.05
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 114185250
3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106418197
3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
CID 114186711
3-ethyl-1-(3-ethylsulfonylpropyl)-1,4-diazepane-2,5-dione
CID 65096322
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CID 64881885
3-ethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 106733796
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106422000
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethyl-1,4-diazepane-2,5-dione
CID 116524898
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106421935

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione (CID 106421910) is 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(CCc2noc(C)n2)C1=O.
What is the InChIKey of 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione?
The InChIKey is CYCITLBKLSZCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-9-12(18)16(7-5-11(17)14-9)6-4-10-13-8(2)19-15-10/h9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione?
3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 106421910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).