N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C26H26N4O2 — CID 25360515

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)o1
InChIInChI=1S/C26H26N4O2/c1-18-7-5-6-8-23(18)25-28-27-24(32-25)20-11-13-21(14-12-20)26(31)30(4)17-19-9-15-22(16-10-19)29(2)3/h5-16H,17H2,1-4H3
InChIKeyWPQMJXZUHNULDS-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.05
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 25360515) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID25360515
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)o1
InChIInChI=1S/C26H26N4O2/c1-18-7-5-6-8-23(18)25-28-27-24(32-25)20-11-13-21(14-12-20)26(31)30(4)17-19-9-15-22(16-10-19)29(2)3/h5-16H,17H2,1-4H3
InChIKeyWPQMJXZUHNULDS-UHFFFAOYSA-N
XLogP5.05
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26019047
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9345806
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24519008
N-[2-(diethylamino)-2-oxoethyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 48503696
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 75402652
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101081658
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
N-[(4-chlorophenyl)methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7683188

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 25360515) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)o1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WPQMJXZUHNULDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-7-5-6-8-23(18)25-28-27-24(32-25)20-11-13-21(14-12-20)26(31)30(4)17-19-9-15-22(16-10-19)29(2)3/h5-16H,17H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 25360515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).