2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide

C20H14BrN3O3 — CID 71800574

IUPAC2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccccc1Br
InChIInChI=1S/C20H14BrN3O3/c21-15-8-3-2-7-14(15)20(25)22-16-9-4-1-6-13(16)12-18-23-19(24-27-18)17-10-5-11-26-17/h1-11H,12H2,(H,22,25)
InChIKeyWUIRBFQPUPTLJL-UHFFFAOYSA-N
MW424.25 g/mol
LogP4.94
Rot. Bonds5

About 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide

2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide (PubChem CID 71800574) has the molecular formula C20H14BrN3O3 and a molecular weight of 424.25 g/mol. Its IUPAC name is 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide
PubChem CID71800574
Molecular FormulaC20H14BrN3O3
Molecular Weight424.25 g/mol
Exact Mass423.02
IUPAC Name2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccccc1Br
InChIInChI=1S/C20H14BrN3O3/c21-15-8-3-2-7-14(15)20(25)22-16-9-4-1-6-13(16)12-18-23-19(24-27-18)17-10-5-11-26-17/h1-11H,12H2,(H,22,25)
InChIKeyWUIRBFQPUPTLJL-UHFFFAOYSA-N
XLogP4.94
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide (CID 71800574) is 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide is O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide?
The InChIKey is WUIRBFQPUPTLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O3/c21-15-8-3-2-7-14(15)20(25)22-16-9-4-1-6-13(16)12-18-23-19(24-27-18)17-10-5-11-26-17/h1-11H,12H2,(H,22,25).
What are the key properties of 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide?
2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide has a molecular weight of 424.25 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 71800574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).