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

C13H7BrClN3O3 — CID 70941202

IUPAC3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H7BrClN3O3/c14-8-4-7(5-9(15)6-8)11(19)16-13-18-17-12(21-13)10-2-1-3-20-10/h1-6H,(H,16,18,19)
InChIKeyLGNJNMUMGSVVQK-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.00
Rot. Bonds3

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

3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 70941202) has the molecular formula C13H7BrClN3O3 and a molecular weight of 368.57 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID70941202
Molecular FormulaC13H7BrClN3O3
Molecular Weight368.57 g/mol
Exact Mass366.94
IUPAC Name3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H7BrClN3O3/c14-8-4-7(5-9(15)6-8)11(19)16-13-18-17-12(21-13)10-2-1-3-20-10/h1-6H,(H,16,18,19)
InChIKeyLGNJNMUMGSVVQK-UHFFFAOYSA-N
XLogP4.00
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
CID 70941492
4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7295297
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 4151972
3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2231472
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
CID 70941246
3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941259
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylfuran-2-carboxamide
CID 90320525
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4129515
4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083850
3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 89120372
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 70941202) is 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LGNJNMUMGSVVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O3/c14-8-4-7(5-9(15)6-8)11(19)16-13-18-17-12(21-13)10-2-1-3-20-10/h1-6H,(H,16,18,19).
What are the key properties of 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 368.57 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 70941202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).