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

C22H34N4O3 — CID 45196691

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

1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol (PubChem CID 45196691) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol
• PubChem CID: 45196691
• Molecular Formula: C22H34N4O3
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.26
• IUPAC Name: 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol
• SMILES: Cc1nonc1CN(C)Cc1ccccc1OCC(O)CN(C)C1CCCCC1
• InChI: InChI=1S/C22H34N4O3/c1-17-21(24-29-23-17)15-25(2)13-18-9-7-8-12-22(18)28-16-20(27)14-26(3)19-10-5-4-6-11-19/h7-9,12,19-20,27H,4-6,10-11,13-16H2,1-3H3
• InChIKey: LICQFMRGUYLJRX-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 74.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol (CID 45196691) is 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol.

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

The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol is Cc1nonc1CN(C)Cc1ccccc1OCC(O)CN(C)C1CCCCC1.

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

The InChIKey is LICQFMRGUYLJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-17-21(24-29-23-17)15-25(2)13-18-9-7-8-12-22(18)28-16-20(27)14-26(3)19-10-5-4-6-11-19/h7-9,12,19-20,27H,4-6,10-11,13-16H2,1-3H3.

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

1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol has a molecular weight of 402.54 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45196691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).