N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide

C14H9BrN4O5 — CID 43972825

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9BrN4O5/c1-7-2-3-8(6-9(7)19(21)22)12(20)16-14-18-17-13(24-14)10-4-5-11(15)23-10/h2-6H,1H3,(H,16,18,20)
InChIKeyWIQWVJSERLKYDU-UHFFFAOYSA-N
MW393.15 g/mol
LogP3.56
Rot. Bonds4

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

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide (PubChem CID 43972825) has the molecular formula C14H9BrN4O5 and a molecular weight of 393.15 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide
PubChem CID43972825
Molecular FormulaC14H9BrN4O5
Molecular Weight393.15 g/mol
Exact Mass391.98
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9BrN4O5/c1-7-2-3-8(6-9(7)19(21)22)12(20)16-14-18-17-13(24-14)10-4-5-11(15)23-10/h2-6H,1H3,(H,16,18,20)
InChIKeyWIQWVJSERLKYDU-UHFFFAOYSA-N
XLogP3.56
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 53.56
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'}

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Related Compounds

4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972644
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686399
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonic acid
CID 3019589
4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686401
4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134909786

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide (CID 43972825) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-].
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide?
The InChIKey is WIQWVJSERLKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O5/c1-7-2-3-8(6-9(7)19(21)22)12(20)16-14-18-17-13(24-14)10-4-5-11(15)23-10/h2-6H,1H3,(H,16,18,20).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide has a molecular weight of 393.15 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 43972825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).