2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol

C34H33N3O6 — CID 163855257

About 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol

2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol (PubChem CID 163855257) has the molecular formula C34H33N3O6 and a molecular weight of 579.65 g/mol. Its IUPAC name is 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol.

Molecular Properties

• Compound Name: 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol
• PubChem CID: 163855257
• Molecular Formula: C34H33N3O6
• Molecular Weight: 579.65 g/mol
• Exact Mass: 579.24
• IUPAC Name: 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol
• SMILES: COc1cc(Cn2c3ccccc3c3c(OC(C)(C)C(O)O)cccc32)ccc1OCc1nc(-c2ccncc2)oc1C
• InChI: InChI=1S/C34H33N3O6/c1-21-25(36-32(42-21)23-14-16-35-17-15-23)20-41-28-13-12-22(18-30(28)40-4)19-37-26-9-6-5-8-24(26)31-27(37)10-7-11-29(31)43-34(2,3)33(38)39/h5-18,33,38-39H,19-20H2,1-4H3
• InChIKey: OXSZFJKFMJAMCJ-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 112.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.65
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol?

The IUPAC name of 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol (CID 163855257) is 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol.

What is the SMILES notation for 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol?

The canonical SMILES for 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol is COc1cc(Cn2c3ccccc3c3c(OC(C)(C)C(O)O)cccc32)ccc1OCc1nc(-c2ccncc2)oc1C.

What is the InChIKey of 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol?

The InChIKey is OXSZFJKFMJAMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O6/c1-21-25(36-32(42-21)23-14-16-35-17-15-23)20-41-28-13-12-22(18-30(28)40-4)19-37-26-9-6-5-8-24(26)31-27(37)10-7-11-29(31)43-34(2,3)33(38)39/h5-18,33,38-39H,19-20H2,1-4H3.

What are the key properties of 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol?

2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol has a molecular weight of 579.65 g/mol, XLogP of 6.26, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[[3-methoxy-4-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropane-1,1-diol is sourced from PubChem (CID 163855257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).