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

C19H12BrN3O3 — CID 2231472

IUPAC3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H12BrN3O3/c20-14-4-1-3-13(11-14)17(24)21-15-8-6-12(7-9-15)18-22-23-19(26-18)16-5-2-10-25-16/h1-11H,(H,21,24)
InChIKeyMXIJMZNCAOCHOO-UHFFFAOYSA-N
MW410.23 g/mol
LogP5.01
Rot. Bonds4

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

3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 2231472) has the molecular formula C19H12BrN3O3 and a molecular weight of 410.23 g/mol. Its IUPAC name is 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID2231472
Molecular FormulaC19H12BrN3O3
Molecular Weight410.23 g/mol
Exact Mass409.01
IUPAC Name3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H12BrN3O3/c20-14-4-1-3-13(11-14)17(24)21-15-8-6-12(7-9-15)18-22-23-19(26-18)16-5-2-10-25-16/h1-11H,(H,21,24)
InChIKeyMXIJMZNCAOCHOO-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-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 146494133
2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 766025
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319990
2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1300223
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide
CID 142440239
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide
CID 142440309
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
CID 70941246
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
CID 135347274
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 2231472) is 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is MXIJMZNCAOCHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O3/c20-14-4-1-3-13(11-14)17(24)21-15-8-6-12(7-9-15)18-22-23-19(26-18)16-5-2-10-25-16/h1-11H,(H,21,24).
What are the key properties of 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-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 3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 2231472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).