N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

C22H19N3O — CID 2982833

IUPACN-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESc1ccc(CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-4-10-18(11-5-1)16-25(20-14-8-3-9-15-20)17-21-23-24-22(26-21)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyOFVANNGZTKJBLV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.94
Rot. Bonds6

About N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 2982833) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID2982833
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESc1ccc(CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-4-10-18(11-5-1)16-25(20-14-8-3-9-15-20)17-21-23-24-22(26-21)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyOFVANNGZTKJBLV-UHFFFAOYSA-N
XLogP4.94
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline 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

N,N-dimethyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 671915
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethyl-
CID 74301
1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
2-[[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990242
N,N-Diethyl-2-{4-[2-fluoro-4-(5-isopropyl-[1,3,4]oxadiazol-2-yl)-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647272
2-Phenyl-5-(piperidylmethyl)-1,3,4-oxadiazole, chloride
CID 18775228
1-(4-Methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 2147287
1-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 2243296
N-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N,3-dimethylaniline
CID 6625048
1-(2,5-Dimethylphenyl)-4-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 15990110

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 2982833) is N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is c1ccc(CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is OFVANNGZTKJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-4-10-18(11-5-1)16-25(20-14-8-3-9-15-20)17-21-23-24-22(26-21)19-12-6-2-7-13-19/h1-15H,16-17H2.
What are the key properties of N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 341.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 2982833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).