ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate

C8H10N2O3 — CID 66570823

IUPACethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(C2CC2)o1
InChIInChI=1S/C8H10N2O3/c1-2-12-8(11)7-10-9-6(13-7)5-3-4-5/h5H,2-4H2,1H3
InChIKeyVTWNAIKWTWPTFX-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.12
Rot. Bonds3

About ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate

ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 66570823) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID66570823
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(C2CC2)o1
InChIInChI=1S/C8H10N2O3/c1-2-12-8(11)7-10-9-6(13-7)5-3-4-5/h5H,2-4H2,1H3
InChIKeyVTWNAIKWTWPTFX-UHFFFAOYSA-N
XLogP1.12
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate 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 ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate (CID 66570823) is ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(C2CC2)o1.
What is the InChIKey of ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is VTWNAIKWTWPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-12-8(11)7-10-9-6(13-7)5-3-4-5/h5H,2-4H2,1H3.
What are the key properties of ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 66570823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).