1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol

C26H26Cl2N2O3 — CID 46014415

About 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol

1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol (PubChem CID 46014415) has the molecular formula C26H26Cl2N2O3 and a molecular weight of 485.41 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

• Compound Name: 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol
• PubChem CID: 46014415
• Molecular Formula: C26H26Cl2N2O3
• Molecular Weight: 485.41 g/mol
• Exact Mass: 484.13
• IUPAC Name: 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol
• SMILES: OC(COc1ccccc1)CN(Cc1cccc(Cl)c1)CC1CC(c2ccccc2Cl)=NO1
• InChI: InChI=1S/C26H26Cl2N2O3/c27-20-8-6-7-19(13-20)15-30(16-21(31)18-32-22-9-2-1-3-10-22)17-23-14-26(29-33-23)24-11-4-5-12-25(24)28/h1-13,21,23,31H,14-18H2
• InChIKey: UTSUGQKVIRSYTD-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 54.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.41
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol?

The IUPAC name of 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol (CID 46014415) is 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol.

What is the SMILES notation for 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol?

The canonical SMILES for 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN(Cc1cccc(Cl)c1)CC1CC(c2ccccc2Cl)=NO1.

What is the InChIKey of 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol?

The InChIKey is UTSUGQKVIRSYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O3/c27-20-8-6-7-19(13-20)15-30(16-21(31)18-32-22-9-2-1-3-10-22)17-23-14-26(29-33-23)24-11-4-5-12-25(24)28/h1-13,21,23,31H,14-18H2.

What are the key properties of 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol?

1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 485.41 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-chlorophenyl)methyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 46014415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).