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

C9H14N4O5 — CID 152711666

IUPAC[2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate
SMILESCC(C)c1noc(C(COC(N)=O)OC(N)=O)n1
InChIInChI=1S/C9H14N4O5/c1-4(2)6-12-7(18-13-6)5(17-9(11)15)3-16-8(10)14/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,15)
InChIKeyZTSREHUZVHVIHS-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.42
Rot. Bonds5

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

[2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate (PubChem CID 152711666) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate.

Molecular Properties

Compound Name[2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate
PubChem CID152711666
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC Name[2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate
SMILESCC(C)c1noc(C(COC(N)=O)OC(N)=O)n1
InChIInChI=1S/C9H14N4O5/c1-4(2)6-12-7(18-13-6)5(17-9(11)15)3-16-8(10)14/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,15)
InChIKeyZTSREHUZVHVIHS-UHFFFAOYSA-N
XLogP0.42
TPSA143.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] 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 [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate?
The IUPAC name of [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate (CID 152711666) is [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate.
What is the SMILES notation for [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate?
The canonical SMILES for [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate is CC(C)c1noc(C(COC(N)=O)OC(N)=O)n1.
What is the InChIKey of [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate?
The InChIKey is ZTSREHUZVHVIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5/c1-4(2)6-12-7(18-13-6)5(17-9(11)15)3-16-8(10)14/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,15).
What are the key properties of [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate?
[2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate has a molecular weight of 258.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-carbamoyloxy-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl] carbamate is sourced from PubChem (CID 152711666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).