1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol

C34H36N2O4 — CID 19958770

About 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol

1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol (PubChem CID 19958770) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
• PubChem CID: 19958770
• Molecular Formula: C34H36N2O4
• Molecular Weight: 536.67 g/mol
• Exact Mass: 536.27
• IUPAC Name: 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
• SMILES: C=C(c1cc(COC)no1)c1ccccc1OCC(O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
• InChI: InChI=1S/C34H36N2O4/c1-25(33-21-29(23-38-2)35-40-33)31-15-9-10-16-32(31)39-24-30(37)22-36-19-17-28(18-20-36)34(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-16,21,30,37H,1,17-20,22-24H2,2H3
• InChIKey: QPVLXDWEVWHNTR-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 67.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.67
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?

The IUPAC name of 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol (CID 19958770) is 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol is C=C(c1cc(COC)no1)c1ccccc1OCC(O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1.

What is the InChIKey of 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?

The InChIKey is QPVLXDWEVWHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-25(33-21-29(23-38-2)35-40-33)31-15-9-10-16-32(31)39-24-30(37)22-36-19-17-28(18-20-36)34(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-16,21,30,37H,1,17-20,22-24H2,2H3.

What are the key properties of 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?

1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol has a molecular weight of 536.67 g/mol, XLogP of 6.22, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzhydrylidenepiperidin-1-yl)-3-[2-[1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 19958770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).