2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid

C7H11N3O3 — CID 68963475

IUPAC2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
SMILESCCc1noc(CCNC(=O)O)n1
InChIInChI=1S/C7H11N3O3/c1-2-5-9-6(13-10-5)3-4-8-7(11)12/h8H,2-4H2,1H3,(H,11,12)
InChIKeyJFWKIZWTOUJZGF-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.44
Rot. Bonds4

About 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid

2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid (PubChem CID 68963475) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
PubChem CID68963475
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
SMILESCCc1noc(CCNC(=O)O)n1
InChIInChI=1S/C7H11N3O3/c1-2-5-9-6(13-10-5)3-4-8-7(11)12/h8H,2-4H2,1H3,(H,11,12)
InChIKeyJFWKIZWTOUJZGF-UHFFFAOYSA-N
XLogP0.44
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid 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-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid (CID 68963475) is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid is CCc1noc(CCNC(=O)O)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The InChIKey is JFWKIZWTOUJZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-2-5-9-6(13-10-5)3-4-8-7(11)12/h8H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid has a molecular weight of 185.18 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 68963475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).