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

C19H12BrN3O3 — CID 30329560

IUPAC2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccccc1Br
InChIInChI=1S/C19H12BrN3O3/c20-14-8-3-1-6-12(14)18(24)21-15-9-4-2-7-13(15)19-22-17(23-26-19)16-10-5-11-25-16/h1-11H,(H,21,24)
InChIKeyGOOONAYSSZMLFO-UHFFFAOYSA-N
MW410.23 g/mol
LogP5.01
Rot. Bonds4

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

2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 30329560) has the molecular formula C19H12BrN3O3 and a molecular weight of 410.23 g/mol. Its IUPAC name is 2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID30329560
Molecular FormulaC19H12BrN3O3
Molecular Weight410.23 g/mol
Exact Mass409.01
IUPAC Name2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccccc1Br
InChIInChI=1S/C19H12BrN3O3/c20-14-8-3-1-6-12(14)18(24)21-15-9-4-2-7-13(15)19-22-17(23-26-19)16-10-5-11-25-16/h1-11H,(H,21,24)
InChIKeyGOOONAYSSZMLFO-UHFFFAOYSA-N
XLogP5.01
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methoxybenzamide
CID 30330455
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30333041
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-3-carboxamide
CID 30332832
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 30332601
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide
CID 106853073
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 30331853
2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329655
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30331950
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487
2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329649
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4900186

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 30329560) is 2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is GOOONAYSSZMLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O3/c20-14-8-3-1-6-12(14)18(24)21-15-9-4-2-7-13(15)19-22-17(23-26-19)16-10-5-11-25-16/h1-11H,(H,21,24).
What are the key properties of 2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 410.23 g/mol, XLogP of 5.01, 4 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]phenyl]benzamide is sourced from PubChem (CID 30329560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).