sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate

C33H27N2NaO6 — CID 59571762

About sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate

sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate (PubChem CID 59571762) has the molecular formula C33H27N2NaO6 and a molecular weight of 570.58 g/mol. Its IUPAC name is sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate.

Molecular Properties

• Compound Name: sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate
• PubChem CID: 59571762
• Molecular Formula: C33H27N2NaO6
• Molecular Weight: 570.58 g/mol
• Exact Mass: 570.18
• IUPAC Name: sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate
• SMILES: COc1cc(Cn2c3ccccc3c3c(OCC(=O)[O-])cccc32)ccc1OCc1nc(-c2ccccc2)oc1C.[Na+]
• InChI: InChI=1S/C33H28N2O6.Na/c1-21-25(34-33(41-21)23-9-4-3-5-10-23)19-39-28-16-15-22(17-30(28)38-2)18-35-26-12-7-6-11-24(26)32-27(35)13-8-14-29(32)40-20-31(36)37;/h3-17H,18-20H2,1-2H3,(H,36,37);/q;+1/p-1
• InChIKey: XUVPIIOWNGUNTB-UHFFFAOYSA-M
• XLogP: 2.53
• TPSA: 98.78 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.58
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate (CID 59571762) is sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate.

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

The canonical SMILES for sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate is COc1cc(Cn2c3ccccc3c3c(OCC(=O)[O-])cccc32)ccc1OCc1nc(-c2ccccc2)oc1C.[Na+].

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

The InChIKey is XUVPIIOWNGUNTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H28N2O6.Na/c1-21-25(34-33(41-21)23-9-4-3-5-10-23)19-39-28-16-15-22(17-30(28)38-2)18-35-26-12-7-6-11-24(26)32-27(35)13-8-14-29(32)40-20-31(36)37;/h3-17H,18-20H2,1-2H3,(H,36,37);/q;+1/p-1.

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

sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate has a molecular weight of 570.58 g/mol, XLogP of 2.53, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate is sourced from PubChem (CID 59571762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).