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

C25H23ClN4O3 — CID 95053169

IUPACN-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@@H]1c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H23ClN4O3/c1-16(31)30-25(33-24(28-30)17-9-13-22(14-10-17)29(2)3)18-7-11-21(12-8-18)27-23(32)19-5-4-6-20(26)15-19/h4-15,25H,1-3H3,(H,27,32)/t25-/m1/s1
InChIKeyZBPVTQLOFZQPPK-RUZDIDTESA-N
MW462.94 g/mol
LogP4.90
Rot. Bonds5

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

N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide (PubChem CID 95053169) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
PubChem CID95053169
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC NameN-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@@H]1c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H23ClN4O3/c1-16(31)30-25(33-24(28-30)17-9-13-22(14-10-17)29(2)3)18-7-11-21(12-8-18)27-23(32)19-5-4-6-20(26)15-19/h4-15,25H,1-3H3,(H,27,32)/t25-/m1/s1
InChIKeyZBPVTQLOFZQPPK-RUZDIDTESA-N
XLogP4.90
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide
CID 95053024
N-[4-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl)phenyl]-3-chlorobenzamide
CID 53019682
N-[3-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-bromobenzamide
CID 95053171
N-[3-[3-acetyl-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
CID 46352364
N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 53020454
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
[2-[(2R)-3-acetyl-2-[4-[(3-nitrobenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-bromophenyl] acetate
CID 98222623
1-[(2R)-5-(4-chloro-3-nitrophenyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712783
1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 54578785
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide (CID 95053169) is N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide is CC(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@@H]1c1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide?
The InChIKey is ZBPVTQLOFZQPPK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-16(31)30-25(33-24(28-30)17-9-13-22(14-10-17)29(2)3)18-7-11-21(12-8-18)27-23(32)19-5-4-6-20(26)15-19/h4-15,25H,1-3H3,(H,27,32)/t25-/m1/s1.
What are the key properties of N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide?
N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide has a molecular weight of 462.94 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide is sourced from PubChem (CID 95053169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).