N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide

C23H17ClN4O5 — CID 92707047

IUPACN-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccccc2NC(=O)c2ccc(Cl)cc2)O[C@@H]1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H17ClN4O5/c1-14(29)27-23(16-5-4-6-18(13-16)28(31)32)33-22(26-27)19-7-2-3-8-20(19)25-21(30)15-9-11-17(24)12-10-15/h2-13,23H,1H3,(H,25,30)/t23-/m1/s1
InChIKeyZFRUBKZROBXBKO-HSZRJFAPSA-N
MW464.87 g/mol
LogP4.74
Rot. Bonds5

About N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide

N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide (PubChem CID 92707047) has the molecular formula C23H17ClN4O5 and a molecular weight of 464.87 g/mol. Its IUPAC name is N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide
PubChem CID92707047
Molecular FormulaC23H17ClN4O5
Molecular Weight464.87 g/mol
Exact Mass464.09
IUPAC NameN-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccccc2NC(=O)c2ccc(Cl)cc2)O[C@@H]1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H17ClN4O5/c1-14(29)27-23(16-5-4-6-18(13-16)28(31)32)33-22(26-27)19-7-2-3-8-20(19)25-21(30)15-9-11-17(24)12-10-15/h2-13,23H,1H3,(H,25,30)/t23-/m1/s1
InChIKeyZFRUBKZROBXBKO-HSZRJFAPSA-N
XLogP4.74
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide 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

1-[5-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 46352179
N-[3-[3-acetyl-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
CID 46352364
N-[2-[4-acetyl-5-methyl-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 46284906
1-[(2S)-5-(2-chlorophenyl)-2-(4-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92707044
[4-[(2S)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]-3-acetyloxyphenyl] acetate
CID 92712728
1-[2-(4-chlorophenyl)-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 46352302
1-[(2S)-2-(2,4-dichlorophenyl)-5-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 1203227
[2-(3-acetyl-2-phenyl-2H-1,3,4-oxadiazol-5-yl)-4-nitrophenyl] acetate
CID 46352223
[2-[(2R)-3-acetyl-2-[4-[(3-nitrobenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-bromophenyl] acetate
CID 98222623
[2-[3-acetyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-nitrophenyl] acetate
CID 46352353
4-chloro-N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4168190
[2-[(2S)-3-acetyl-2-[3-[(2-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-chloro-6-nitrophenyl] acetate
CID 98222029

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide (CID 92707047) is N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide is CC(=O)N1N=C(c2ccccc2NC(=O)c2ccc(Cl)cc2)O[C@@H]1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide?
The InChIKey is ZFRUBKZROBXBKO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H17ClN4O5/c1-14(29)27-23(16-5-4-6-18(13-16)28(31)32)33-22(26-27)19-7-2-3-8-20(19)25-21(30)15-9-11-17(24)12-10-15/h2-13,23H,1H3,(H,25,30)/t23-/m1/s1.
What are the key properties of N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide?
N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide has a molecular weight of 464.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 92707047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).