ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate

C10H9N3O3 — CID 22432121

IUPACethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C10H9N3O3/c1-2-15-10(14)9-13-12-8(16-9)7-3-5-11-6-4-7/h3-6H,2H2,1H3
InChIKeyFAKFDZBAFPGQEV-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.31
Rot. Bonds3

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

ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 22432121) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
PubChem CID22432121
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Nameethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C10H9N3O3/c1-2-15-10(14)9-13-12-8(16-9)7-3-5-11-6-4-7/h3-6H,2H2,1H3
InChIKeyFAKFDZBAFPGQEV-UHFFFAOYSA-N
XLogP1.31
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-Bis(4-pyridyl)-1,3,4-oxadiazole
CID 699787
2-Ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 930897
4-(1,3,4-Oxadiazol-2-yl)pyridine
CID 775636
[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate
CID 2997909
Ethyl 3-oxo-2-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}butanoate
CID 9549719
Propanoic acid, 2-[[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]-, methyl ester
CID 571587
4-(5-Methyl-1,3,4-oxadiazol-2-yl)pyridine
CID 20685307
Bas 06347108
CID 1084435
Methyl 5-(5-fluoropyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 68319895
Methyl 2-(5-(4-pyridyl)-1,3,4-oxadiazol-2-ylthio)acetate
CID 742135
Phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 2338542
2-(Chloromethyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole
CID 13861422

Frequently Asked Questions

What is the IUPAC name of ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate (CID 22432121) is ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ccncc2)o1.
What is the InChIKey of ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is FAKFDZBAFPGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-2-15-10(14)9-13-12-8(16-9)7-3-5-11-6-4-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 22432121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).