1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C23H27N3O2 — CID 78825997

About 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 78825997) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
• PubChem CID: 78825997
• Molecular Formula: C23H27N3O2
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
• SMILES: COc1ccc(CN(Cc2nnc(-c3cccc(C)c3)o2)C(C)C2CC2)cc1
• InChI: InChI=1S/C23H27N3O2/c1-16-5-4-6-20(13-16)23-25-24-22(28-23)15-26(17(2)19-9-10-19)14-18-7-11-21(27-3)12-8-18/h4-8,11-13,17,19H,9-10,14-15H2,1-3H3
• InChIKey: HGZMHVTWFMTFSP-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 51.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?

The IUPAC name of 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 78825997) is 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

What is the SMILES notation for 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?

The canonical SMILES for 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is COc1ccc(CN(Cc2nnc(-c3cccc(C)c3)o2)C(C)C2CC2)cc1.

What is the InChIKey of 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?

The InChIKey is HGZMHVTWFMTFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-5-4-6-20(13-16)23-25-24-22(28-23)15-26(17(2)19-9-10-19)14-18-7-11-21(27-3)12-8-18/h4-8,11-13,17,19H,9-10,14-15H2,1-3H3.

What are the key properties of 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?

1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 377.49 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 78825997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).