1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine

C33H41N3O — CID 67188008

IUPAC1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine
SMILESCCCCCCCCCCCc1noc(-c2cccc(CNCc3cccc(-c4ccccc4)c3)c2)n1
InChIInChI=1S/C33H41N3O/c1-2-3-4-5-6-7-8-9-13-22-32-35-33(37-36-32)31-21-15-17-28(24-31)26-34-25-27-16-14-20-30(23-27)29-18-11-10-12-19-29/h10-12,14-21,23-24,34H,2-9,13,22,25-26H2,1H3
InChIKeyOJCNDAHAFVHAJF-UHFFFAOYSA-N
MW495.71 g/mol
LogP8.77
Rot. Bonds16

About 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine

1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine (PubChem CID 67188008) has the molecular formula C33H41N3O and a molecular weight of 495.71 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine
PubChem CID67188008
Molecular FormulaC33H41N3O
Molecular Weight495.71 g/mol
Exact Mass495.32
IUPAC Name1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine
SMILESCCCCCCCCCCCc1noc(-c2cccc(CNCc3cccc(-c4ccccc4)c3)c2)n1
InChIInChI=1S/C33H41N3O/c1-2-3-4-5-6-7-8-9-13-22-32-35-33(37-36-32)31-21-15-17-28(24-31)26-34-25-27-16-14-20-30(23-27)29-18-11-10-12-19-29/h10-12,14-21,23-24,34H,2-9,13,22,25-26H2,1H3
InChIKeyOJCNDAHAFVHAJF-UHFFFAOYSA-N
XLogP8.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine?
The IUPAC name of 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine (CID 67188008) is 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine is CCCCCCCCCCCc1noc(-c2cccc(CNCc3cccc(-c4ccccc4)c3)c2)n1.
What is the InChIKey of 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine?
The InChIKey is OJCNDAHAFVHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O/c1-2-3-4-5-6-7-8-9-13-22-32-35-33(37-36-32)31-21-15-17-28(24-31)26-34-25-27-16-14-20-30(23-27)29-18-11-10-12-19-29/h10-12,14-21,23-24,34H,2-9,13,22,25-26H2,1H3.
What are the key properties of 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine?
1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine has a molecular weight of 495.71 g/mol, XLogP of 8.77, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-N-[[3-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]methanamine is sourced from PubChem (CID 67188008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).