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

C24H30ClN3O3 — CID 46014400

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

1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 46014400) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
• PubChem CID: 46014400
• Molecular Formula: C24H30ClN3O3
• Molecular Weight: 443.98 g/mol
• Exact Mass: 443.20
• IUPAC Name: 1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
• SMILES: OC(CN1CCOCC1)CN(Cc1ccccc1)CC1CC(c2ccc(Cl)cc2)=NO1
• InChI: InChI=1S/C24H30ClN3O3/c25-21-8-6-20(7-9-21)24-14-23(31-26-24)18-28(15-19-4-2-1-3-5-19)17-22(29)16-27-10-12-30-13-11-27/h1-9,22-23,29H,10-18H2
• InChIKey: WKFSUXBWHOZRGB-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 57.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.98
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 46014400) is 1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol.

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

The canonical SMILES for 1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)CN(Cc1ccccc1)CC1CC(c2ccc(Cl)cc2)=NO1.

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

The InChIKey is WKFSUXBWHOZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c25-21-8-6-20(7-9-21)24-14-23(31-26-24)18-28(15-19-4-2-1-3-5-19)17-22(29)16-27-10-12-30-13-11-27/h1-9,22-23,29H,10-18H2.

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

1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 443.98 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 46014400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).