N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide

C25H20N4O3 — CID 167525503

IUPACN-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(Cn3ccc4cc(-c5noc(=O)[nH]5)ccc43)cc2)c1
InChIInChI=1S/C25H20N4O3/c1-16-3-2-4-21(13-16)26-24(30)18-7-5-17(6-8-18)15-29-12-11-19-14-20(9-10-22(19)29)23-27-25(31)32-28-23/h2-14H,15H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyACXQHSBWADANMY-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.59
Rot. Bonds5

About N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide

N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide (PubChem CID 167525503) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
PubChem CID167525503
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(Cn3ccc4cc(-c5noc(=O)[nH]5)ccc43)cc2)c1
InChIInChI=1S/C25H20N4O3/c1-16-3-2-4-21(13-16)26-24(30)18-7-5-17(6-8-18)15-29-12-11-19-14-20(9-10-22(19)29)23-27-25(31)32-28-23/h2-14H,15H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyACXQHSBWADANMY-UHFFFAOYSA-N
XLogP4.59
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
CID 167525480
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
CID 167966446
1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
1-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 110382997
4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 146477166
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
CID 145364579
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 43919042

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide?
The IUPAC name of N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide (CID 167525503) is N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide is Cc1cccc(NC(=O)c2ccc(Cn3ccc4cc(-c5noc(=O)[nH]5)ccc43)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide?
The InChIKey is ACXQHSBWADANMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-16-3-2-4-21(13-16)26-24(30)18-7-5-17(6-8-18)15-29-12-11-19-14-20(9-10-22(19)29)23-27-25(31)32-28-23/h2-14H,15H2,1H3,(H,26,30)(H,27,28,31).
What are the key properties of N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide?
N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide is sourced from PubChem (CID 167525503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).