[1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate

C9H13N3O4 — CID 69476584

IUPAC[1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate
SMILESCCc1nc(C(=O)C(CC)OC(N)=O)no1
InChIInChI=1S/C9H13N3O4/c1-3-5(15-9(10)14)7(13)8-11-6(4-2)16-12-8/h5H,3-4H2,1-2H3,(H2,10,14)
InChIKeyDJIQEDNLLXTYAO-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.69
Rot. Bonds5

About [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate

[1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate (PubChem CID 69476584) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate
PubChem CID69476584
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name[1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate
SMILESCCc1nc(C(=O)C(CC)OC(N)=O)no1
InChIInChI=1S/C9H13N3O4/c1-3-5(15-9(10)14)7(13)8-11-6(4-2)16-12-8/h5H,3-4H2,1-2H3,(H2,10,14)
InChIKeyDJIQEDNLLXTYAO-UHFFFAOYSA-N
XLogP0.69
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate?
The IUPAC name of [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate (CID 69476584) is [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate.
What is the SMILES notation for [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate?
The canonical SMILES for [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate is CCc1nc(C(=O)C(CC)OC(N)=O)no1.
What is the InChIKey of [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate?
The InChIKey is DJIQEDNLLXTYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-3-5(15-9(10)14)7(13)8-11-6(4-2)16-12-8/h5H,3-4H2,1-2H3,(H2,10,14).
What are the key properties of [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate?
[1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate has a molecular weight of 227.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate is sourced from PubChem (CID 69476584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).