(5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C13H14BrN3O3 — CID 47296921

IUPAC(5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCCN(C(=O)c3ccc(Br)o3)C2)n1
InChIInChI=1S/C13H14BrN3O3/c1-8-15-12(20-16-8)9-3-2-6-17(7-9)13(18)10-4-5-11(14)19-10/h4-5,9H,2-3,6-7H2,1H3
InChIKeyVBHXGIOBCIBRPK-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.75
Rot. Bonds2

About (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 47296921) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID47296921
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name(5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCCN(C(=O)c3ccc(Br)o3)C2)n1
InChIInChI=1S/C13H14BrN3O3/c1-8-15-12(20-16-8)9-3-2-6-17(7-9)13(18)10-4-5-11(14)19-10/h4-5,9H,2-3,6-7H2,1H3
InChIKeyVBHXGIOBCIBRPK-UHFFFAOYSA-N
XLogP2.75
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 47296921) is (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCCN(C(=O)c3ccc(Br)o3)C2)n1.
What is the InChIKey of (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VBHXGIOBCIBRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-8-15-12(20-16-8)9-3-2-6-17(7-9)13(18)10-4-5-11(14)19-10/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 340.18 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 47296921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).