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

C13H7BrN4O5 — CID 70941492

IUPAC3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H7BrN4O5/c14-8-4-7(5-9(6-8)18(20)21)11(19)15-13-17-16-12(23-13)10-2-1-3-22-10/h1-6H,(H,15,17,19)
InChIKeyCNDZHPULAFCDSZ-UHFFFAOYSA-N
MW379.13 g/mol
LogP3.25
Rot. Bonds4

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

3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide (PubChem CID 70941492) has the molecular formula C13H7BrN4O5 and a molecular weight of 379.13 g/mol. Its IUPAC name is 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide.

Molecular Properties

Compound Name3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
PubChem CID70941492
Molecular FormulaC13H7BrN4O5
Molecular Weight379.13 g/mol
Exact Mass377.96
IUPAC Name3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H7BrN4O5/c14-8-4-7(5-9(6-8)18(20)21)11(19)15-13-17-16-12(23-13)10-2-1-3-22-10/h1-6H,(H,15,17,19)
InChIKeyCNDZHPULAFCDSZ-UHFFFAOYSA-N
XLogP3.25
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536722
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 70941535
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-(3-nitrophenyl)prop-2-enamide
CID 3604057
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43972170
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
CID 70941246
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 4151972
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide?
The IUPAC name of 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide (CID 70941492) is 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide.
What is the SMILES notation for 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide?
The canonical SMILES for 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide?
The InChIKey is CNDZHPULAFCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4O5/c14-8-4-7(5-9(6-8)18(20)21)11(19)15-13-17-16-12(23-13)10-2-1-3-22-10/h1-6H,(H,15,17,19).
What are the key properties of 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide?
3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide has a molecular weight of 379.13 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide is sourced from PubChem (CID 70941492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).