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

C20H14BrN3O4 — CID 1026416

IUPAC5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C20H14BrN3O4/c1-26-16-8-7-13(21)11-15(16)18(25)22-14-5-2-4-12(10-14)19-23-24-20(28-19)17-6-3-9-27-17/h2-11H,1H3,(H,22,25)
InChIKeyRWHUUAMFWJFHDE-UHFFFAOYSA-N
MW440.25 g/mol
LogP5.02
Rot. Bonds5

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

5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide (PubChem CID 1026416) has the molecular formula C20H14BrN3O4 and a molecular weight of 440.25 g/mol. Its IUPAC name is 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
PubChem CID1026416
Molecular FormulaC20H14BrN3O4
Molecular Weight440.25 g/mol
Exact Mass439.02
IUPAC Name5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C20H14BrN3O4/c1-26-16-8-7-13(21)11-15(16)18(25)22-14-5-2-4-12(10-14)19-23-24-20(28-19)17-6-3-9-27-17/h2-11H,1H3,(H,22,25)
InChIKeyRWHUUAMFWJFHDE-UHFFFAOYSA-N
XLogP5.02
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.25
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide (CID 1026416) is 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1.
What is the InChIKey of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide?
The InChIKey is RWHUUAMFWJFHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O4/c1-26-16-8-7-13(21)11-15(16)18(25)22-14-5-2-4-12(10-14)19-23-24-20(28-19)17-6-3-9-27-17/h2-11H,1H3,(H,22,25).
What are the key properties of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide?
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide has a molecular weight of 440.25 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 1026416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).