1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C25H31N3O4 — CID 45180427

About 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 45180427) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
• PubChem CID: 45180427
• Molecular Formula: C25H31N3O4
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.23
• IUPAC Name: 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
• SMILES: COc1cc(CNCc2cc(-c3ccccc3)on2)ccc1OCC(O)CN1CCCC1
• InChI: InChI=1S/C25H31N3O4/c1-30-25-13-19(9-10-23(25)31-18-22(29)17-28-11-5-6-12-28)15-26-16-21-14-24(32-27-21)20-7-3-2-4-8-20/h2-4,7-10,13-14,22,26,29H,5-6,11-12,15-18H2,1H3
• InChIKey: UJMOXEYFBPFYDH-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 79.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?

The IUPAC name of 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 45180427) is 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

What is the SMILES notation for 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?

The canonical SMILES for 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is COc1cc(CNCc2cc(-c3ccccc3)on2)ccc1OCC(O)CN1CCCC1.

What is the InChIKey of 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?

The InChIKey is UJMOXEYFBPFYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-30-25-13-19(9-10-23(25)31-18-22(29)17-28-11-5-6-12-28)15-26-16-21-14-24(32-27-21)20-7-3-2-4-8-20/h2-4,7-10,13-14,22,26,29H,5-6,11-12,15-18H2,1H3.

What are the key properties of 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?

1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 437.54 g/mol, XLogP of 3.48, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methoxy-4-[[(5-phenyl-1,2-oxazol-3-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 45180427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).