ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate

C11H11N3O3 — CID 112619393

IUPACethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc(C)nc2)o1
InChIInChI=1S/C11H11N3O3/c1-3-16-11(15)10-14-13-9(17-10)8-5-4-7(2)12-6-8/h4-6H,3H2,1-2H3
InChIKeyWMURSRWGSXVDTL-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.62
Rot. Bonds3

About ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112619393) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID112619393
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Nameethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc(C)nc2)o1
InChIInChI=1S/C11H11N3O3/c1-3-16-11(15)10-14-13-9(17-10)8-5-4-7(2)12-6-8/h4-6H,3H2,1-2H3
InChIKeyWMURSRWGSXVDTL-UHFFFAOYSA-N
XLogP1.62
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960764
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834
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
2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069885
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416
ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 167386601
ethyl 5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685436
ethyl 5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619275
ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960787

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate (CID 112619393) is ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ccc(C)nc2)o1.
What is the InChIKey of ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is WMURSRWGSXVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-3-16-11(15)10-14-13-9(17-10)8-5-4-7(2)12-6-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112619393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).