5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole

C15H11BrN4O2 — CID 53030861

IUPAC5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCn1cnc2cc(-c3noc(-c4ccc(Br)o4)n3)ccc21
InChIInChI=1S/C15H11BrN4O2/c1-2-20-8-17-10-7-9(3-4-11(10)20)14-18-15(22-19-14)12-5-6-13(16)21-12/h3-8H,2H2,1H3
InChIKeyRJUWLQLGJOZXMV-UHFFFAOYSA-N
MW359.18 g/mol
LogP4.13
Rot. Bonds3

About 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole

5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030861) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53030861
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC Name5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCn1cnc2cc(-c3noc(-c4ccc(Br)o4)n3)ccc21
InChIInChI=1S/C15H11BrN4O2/c1-2-20-8-17-10-7-9(3-4-11(10)20)14-18-15(22-19-14)12-5-6-13(16)21-12/h3-8H,2H2,1H3
InChIKeyRJUWLQLGJOZXMV-UHFFFAOYSA-N
XLogP4.13
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030861) is 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCn1cnc2cc(-c3noc(-c4ccc(Br)o4)n3)ccc21.
What is the InChIKey of 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is RJUWLQLGJOZXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2/c1-2-20-8-17-10-7-9(3-4-11(10)20)14-18-15(22-19-14)12-5-6-13(16)21-12/h3-8H,2H2,1H3.
What are the key properties of 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 359.18 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).