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

C9H12N4O3 — CID 106409665

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CCc2ncon2)C(=O)CN1
InChIInChI=1S/C9H12N4O3/c14-8-2-4-13(9(15)5-10-8)3-1-7-11-6-16-12-7/h6H,1-5H2,(H,10,14)
InChIKeyLVZAYMWKFOCGGL-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.04
Rot. Bonds3

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

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione (PubChem CID 106409665) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
PubChem CID106409665
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CCc2ncon2)C(=O)CN1
InChIInChI=1S/C9H12N4O3/c14-8-2-4-13(9(15)5-10-8)3-1-7-11-6-16-12-7/h6H,1-5H2,(H,10,14)
InChIKeyLVZAYMWKFOCGGL-UHFFFAOYSA-N
XLogP-1.04
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106409683
3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106402267
1-[2-(cyclohexen-1-yl)ethyl]-1,4-diazepane-2,5-dione
CID 107851441
4-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106408264
1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione
CID 81435951
1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64882784
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine
CID 106402515
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione
CID 106409640
1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106003016
1-(3-phenylbutyl)-1,4-diazepane-2,5-dione
CID 64969982
1-(2-butoxyethyl)-1,4-diazepane-2,5-dione
CID 64882011
1-[(3,5-dimethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64884559

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione (CID 106409665) is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione is O=C1CCN(CCc2ncon2)C(=O)CN1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione?
The InChIKey is LVZAYMWKFOCGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c14-8-2-4-13(9(15)5-10-8)3-1-7-11-6-16-12-7/h6H,1-5H2,(H,10,14).
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione?
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione has a molecular weight of 224.22 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 106409665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).