3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole

C12H11N5O — CID 75528009

IUPAC3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2ccc(-n3ccnc3)nc2)n1
InChIInChI=1S/C12H11N5O/c1-2-10-15-12(18-16-10)9-3-4-11(14-7-9)17-6-5-13-8-17/h3-8H,2H2,1H3
InChIKeyJMXFUHQRGXVPEM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.88
Rot. Bonds3

About 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole

3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 75528009) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID75528009
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2ccc(-n3ccnc3)nc2)n1
InChIInChI=1S/C12H11N5O/c1-2-10-15-12(18-16-10)9-3-4-11(14-7-9)17-6-5-13-8-17/h3-8H,2H2,1H3
InChIKeyJMXFUHQRGXVPEM-UHFFFAOYSA-N
XLogP1.88
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 75528009) is 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is CCc1noc(-c2ccc(-n3ccnc3)nc2)n1.
What is the InChIKey of 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is JMXFUHQRGXVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-2-10-15-12(18-16-10)9-3-4-11(14-7-9)17-6-5-13-8-17/h3-8H,2H2,1H3.
What are the key properties of 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 241.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75528009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).