1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol

C24H32N4O4 — CID 45199722

About 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol

1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol (PubChem CID 45199722) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol
• PubChem CID: 45199722
• Molecular Formula: C24H32N4O4
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.24
• IUPAC Name: 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol
• SMILES: COc1ccc(CN(C)Cc2nonc2C)cc1OCC(O)CN(C)Cc1ccccc1
• InChI: InChI=1S/C24H32N4O4/c1-18-22(26-32-25-18)16-28(3)14-20-10-11-23(30-4)24(12-20)31-17-21(29)15-27(2)13-19-8-6-5-7-9-19/h5-12,21,29H,13-17H2,1-4H3
• InChIKey: WWHBQZQJNUGFEG-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 84.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol?

The IUPAC name of 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol (CID 45199722) is 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol is COc1ccc(CN(C)Cc2nonc2C)cc1OCC(O)CN(C)Cc1ccccc1.

What is the InChIKey of 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol?

The InChIKey is WWHBQZQJNUGFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-18-22(26-32-25-18)16-28(3)14-20-10-11-23(30-4)24(12-20)31-17-21(29)15-27(2)13-19-8-6-5-7-9-19/h5-12,21,29H,13-17H2,1-4H3.

What are the key properties of 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol?

1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol has a molecular weight of 440.54 g/mol, XLogP of 2.89, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45199722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).