N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide

C23H19N3O2 — CID 55531278

IUPACN-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide
SMILESCc1noc(-c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2)n1
InChIInChI=1S/C23H19N3O2/c1-17-24-22(28-25-17)19-12-14-20(15-13-19)23(27)26(21-10-6-3-7-11-21)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyYOMMBWDUNBDFBL-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.89
Rot. Bonds5

About N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide

N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide (PubChem CID 55531278) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide
PubChem CID55531278
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide
SMILESCc1noc(-c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2)n1
InChIInChI=1S/C23H19N3O2/c1-17-24-22(28-25-17)19-12-14-20(15-13-19)23(27)26(21-10-6-3-7-11-21)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyYOMMBWDUNBDFBL-UHFFFAOYSA-N
XLogP4.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907635
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 60533242
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 55531632
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134039942
N-benzyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-phenylacetamide
CID 110425470
N-benzyl-4-(dimethylsulfamoyl)-N-phenylbenzamide
CID 26731454
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 86859930

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide?
The IUPAC name of N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide (CID 55531278) is N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide.
What is the SMILES notation for N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide?
The canonical SMILES for N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide is Cc1noc(-c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2)n1.
What is the InChIKey of N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide?
The InChIKey is YOMMBWDUNBDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-17-24-22(28-25-17)19-12-14-20(15-13-19)23(27)26(21-10-6-3-7-11-21)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide?
N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide is sourced from PubChem (CID 55531278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).