2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid

C35H32N2O6 — CID 11721169

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

2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid (PubChem CID 11721169) has the molecular formula C35H32N2O6 and a molecular weight of 576.65 g/mol. Its IUPAC name is 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid
• PubChem CID: 11721169
• Molecular Formula: C35H32N2O6
• Molecular Weight: 576.65 g/mol
• Exact Mass: 576.23
• IUPAC Name: 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid
• SMILES: COc1cc(Cn2c3ccccc3c3c(OC(C)(C)C(=O)O)cccc32)ccc1OCc1nc(-c2ccccc2)oc1C
• InChI: InChI=1S/C35H32N2O6/c1-22-26(36-33(42-22)24-11-6-5-7-12-24)21-41-29-18-17-23(19-31(29)40-4)20-37-27-14-9-8-13-25(27)32-28(37)15-10-16-30(32)43-35(2,3)34(38)39/h5-19H,20-21H2,1-4H3,(H,38,39)
• InChIKey: IEZQWZJJSDXGOU-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 95.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.65
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid (CID 11721169) is 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid.

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

The canonical SMILES for 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid is COc1cc(Cn2c3ccccc3c3c(OC(C)(C)C(=O)O)cccc32)ccc1OCc1nc(-c2ccccc2)oc1C.

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

The InChIKey is IEZQWZJJSDXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O6/c1-22-26(36-33(42-22)24-11-6-5-7-12-24)21-41-29-18-17-23(19-31(29)40-4)20-37-27-14-9-8-13-25(27)32-28(37)15-10-16-30(32)43-35(2,3)34(38)39/h5-19H,20-21H2,1-4H3,(H,38,39).

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

2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid has a molecular weight of 576.65 g/mol, XLogP of 7.64, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 11721169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).