ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate

C15H15N5O3 — CID 168909370

IUPACethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2cc(C#N)cnc2N2CCCC2)o1
InChIInChI=1S/C15H15N5O3/c1-2-22-15(21)14-19-18-13(23-14)11-7-10(8-16)9-17-12(11)20-5-3-4-6-20/h7,9H,2-6H2,1H3
InChIKeySPLQLWQSDUAPAD-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.78
Rot. Bonds4

About ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 168909370) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID168909370
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Nameethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2cc(C#N)cnc2N2CCCC2)o1
InChIInChI=1S/C15H15N5O3/c1-2-22-15(21)14-19-18-13(23-14)11-7-10(8-16)9-17-12(11)20-5-3-4-6-20/h7,9H,2-6H2,1H3
InChIKeySPLQLWQSDUAPAD-UHFFFAOYSA-N
XLogP1.78
TPSA105.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate (CID 168909370) is ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2cc(C#N)cnc2N2CCCC2)o1.
What is the InChIKey of ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is SPLQLWQSDUAPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-2-22-15(21)14-19-18-13(23-14)11-7-10(8-16)9-17-12(11)20-5-3-4-6-20/h7,9H,2-6H2,1H3.
What are the key properties of ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 313.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-cyano-2-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 168909370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).