5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole

C12H7BrClN3O2 — CID 10382651

IUPAC5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cc(Cl)cnc1-c1noc(-c2occc2Br)n1
InChIInChI=1S/C12H7BrClN3O2/c1-6-4-7(14)5-15-9(6)11-16-12(19-17-11)10-8(13)2-3-18-10/h2-5H,1H3
InChIKeyHVILSVUSDUMQLT-UHFFFAOYSA-N
MW340.56 g/mol
LogP4.12
Rot. Bonds2

About 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole

5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 10382651) has the molecular formula C12H7BrClN3O2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID10382651
Molecular FormulaC12H7BrClN3O2
Molecular Weight340.56 g/mol
Exact Mass338.94
IUPAC Name5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cc(Cl)cnc1-c1noc(-c2occc2Br)n1
InChIInChI=1S/C12H7BrClN3O2/c1-6-4-7(14)5-15-9(6)11-16-12(19-17-11)10-8(13)2-3-18-10/h2-5H,1H3
InChIKeyHVILSVUSDUMQLT-UHFFFAOYSA-N
XLogP4.12
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 10382651) is 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole is Cc1cc(Cl)cnc1-c1noc(-c2occc2Br)n1.
What is the InChIKey of 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HVILSVUSDUMQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3O2/c1-6-4-7(14)5-15-9(6)11-16-12(19-17-11)10-8(13)2-3-18-10/h2-5H,1H3.
What are the key properties of 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 340.56 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromofuran-2-yl)-3-(5-chloro-3-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 10382651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).