ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate

C14H18N4O3 — CID 73253847

IUPACethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(N(CC)CC)nc2)no1
InChIInChI=1S/C14H18N4O3/c1-4-18(5-2)11-8-7-10(9-15-11)12-16-13(21-17-12)14(19)20-6-3/h7-9H,4-6H2,1-3H3
InChIKeyPCUPJDDYUGRDSH-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.15
Rot. Bonds6

About ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate

ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 73253847) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate
PubChem CID73253847
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(N(CC)CC)nc2)no1
InChIInChI=1S/C14H18N4O3/c1-4-18(5-2)11-8-7-10(9-15-11)12-16-13(21-17-12)14(19)20-6-3/h7-9H,4-6H2,1-3H3
InChIKeyPCUPJDDYUGRDSH-UHFFFAOYSA-N
XLogP2.15
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate (CID 73253847) is ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2ccc(N(CC)CC)nc2)no1.
What is the InChIKey of ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is PCUPJDDYUGRDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-18(5-2)11-8-7-10(9-15-11)12-16-13(21-17-12)14(19)20-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-(diethylamino)-3-pyridinyl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 73253847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).