N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

C21H23N3O — CID 78900493

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 78900493) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

• Compound Name: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
• PubChem CID: 78900493
• Molecular Formula: C21H23N3O
• Molecular Weight: 333.44 g/mol
• Exact Mass: 333.18
• IUPAC Name: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
• SMILES: Cc1ccc(CN(Cc2nnc(C)o2)C2CCc3ccccc32)cc1
• InChI: InChI=1S/C21H23N3O/c1-15-7-9-17(10-8-15)13-24(14-21-23-22-16(2)25-21)20-12-11-18-5-3-4-6-19(18)20/h3-10,20H,11-14H2,1-2H3
• InChIKey: VBVMGLBQNDZVGT-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.44
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?

The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 78900493) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?

The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc(CN(Cc2nnc(C)o2)C2CCc3ccccc32)cc1.

What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?

The InChIKey is VBVMGLBQNDZVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-7-9-17(10-8-15)13-24(14-21-23-22-16(2)25-21)20-12-11-18-5-3-4-6-19(18)20/h3-10,20H,11-14H2,1-2H3.

What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 333.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78900493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).