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

C10H9N3O3 — CID 16767420

IUPACethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccncc2)no1
InChIInChI=1S/C10H9N3O3/c1-2-15-10(14)9-12-8(13-16-9)7-3-5-11-6-4-7/h3-6H,2H2,1H3
InChIKeyKJAWTTRLKLWDGL-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.31
Rot. Bonds3

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

ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate (PubChem CID 16767420) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate
PubChem CID16767420
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Nameethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccncc2)no1
InChIInChI=1S/C10H9N3O3/c1-2-15-10(14)9-12-8(13-16-9)7-3-5-11-6-4-7/h3-6H,2H2,1H3
InChIKeyKJAWTTRLKLWDGL-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate (CID 16767420) is ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2ccncc2)no1.
What is the InChIKey of ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is KJAWTTRLKLWDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-2-15-10(14)9-12-8(13-16-9)7-3-5-11-6-4-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-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 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 16767420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).