ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate

C13H10N4O3 — CID 115960764

IUPACethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc3nccnc3c2)o1
InChIInChI=1S/C13H10N4O3/c1-2-19-13(18)12-17-16-11(20-12)8-3-4-9-10(7-8)15-6-5-14-9/h3-7H,2H2,1H3
InChIKeyOVAKJEGWQPXOFM-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.86
Rot. Bonds3

About ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate

ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 115960764) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
PubChem CID115960764
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Nameethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc3nccnc3c2)o1
InChIInChI=1S/C13H10N4O3/c1-2-19-13(18)12-17-16-11(20-12)8-3-4-9-10(7-8)15-6-5-14-9/h3-7H,2H2,1H3
InChIKeyOVAKJEGWQPXOFM-UHFFFAOYSA-N
XLogP1.86
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-quinoxalin-6-yl-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

Related Compounds

ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619393
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834
ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960787
5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850606
ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 177312454
ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 136924736
ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619254
(E)-3-(5-quinoxalin-6-yl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
CID 81256989
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416

Frequently Asked Questions

What is the IUPAC name of ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate (CID 115960764) is ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ccc3nccnc3c2)o1.
What is the InChIKey of ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is OVAKJEGWQPXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-2-19-13(18)12-17-16-11(20-12)8-3-4-9-10(7-8)15-6-5-14-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 270.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 115960764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).