6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole

C19H21N3O4 — CID 129015351

IUPAC6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole
SMILESCCCCOc1cc(OC)cc2oc(-c3cn4nc(CC)oc4n3)cc12
InChIInChI=1S/C19H21N3O4/c1-4-6-7-24-15-8-12(23-3)9-16-13(15)10-17(25-16)14-11-22-19(20-14)26-18(5-2)21-22/h8-11H,4-7H2,1-3H3
InChIKeyBQQUZJBVXZRXAJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.49
Rot. Bonds7

About 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole

6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole (PubChem CID 129015351) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole.

Molecular Properties

Compound Name6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole
PubChem CID129015351
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole
SMILESCCCCOc1cc(OC)cc2oc(-c3cn4nc(CC)oc4n3)cc12
InChIInChI=1S/C19H21N3O4/c1-4-6-7-24-15-8-12(23-3)9-16-13(15)10-17(25-16)14-11-22-19(20-14)26-18(5-2)21-22/h8-11H,4-7H2,1-3H3
InChIKeyBQQUZJBVXZRXAJ-UHFFFAOYSA-N
XLogP4.49
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole?
The IUPAC name of 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole (CID 129015351) is 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole.
What is the SMILES notation for 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole?
The canonical SMILES for 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole is CCCCOc1cc(OC)cc2oc(-c3cn4nc(CC)oc4n3)cc12.
What is the InChIKey of 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole?
The InChIKey is BQQUZJBVXZRXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-6-7-24-15-8-12(23-3)9-16-13(15)10-17(25-16)14-11-22-19(20-14)26-18(5-2)21-22/h8-11H,4-7H2,1-3H3.
What are the key properties of 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole?
6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole has a molecular weight of 355.39 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole is sourced from PubChem (CID 129015351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).