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

C32H26N2O6 — CID 67139817

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

2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid (PubChem CID 67139817) has the molecular formula C32H26N2O6 and a molecular weight of 534.57 g/mol. Its IUPAC name is 2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid.

Molecular Properties

• Compound Name: 2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid
• PubChem CID: 67139817
• Molecular Formula: C32H26N2O6
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.18
• IUPAC Name: 2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid
• SMILES: COc1cc(-n2c3ccccc3c3c(OCC(=O)O)cccc32)ccc1OCc1nc(-c2ccccc2)oc1C
• InChI: InChI=1S/C32H26N2O6/c1-20-24(33-32(40-20)21-9-4-3-5-10-21)18-38-27-16-15-22(17-29(27)37-2)34-25-12-7-6-11-23(25)31-26(34)13-8-14-28(31)39-19-30(35)36/h3-17H,18-19H2,1-2H3,(H,35,36)
• InChIKey: YAVAMFPINJTFHK-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 95.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	6.80
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]carbazol-4-yl]oxyacetic acid?

The IUPAC name of 2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid (CID 67139817) is 2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid.

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

The canonical SMILES for 2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid is COc1cc(-n2c3ccccc3c3c(OCC(=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]carbazol-4-yl]oxyacetic acid?

The InChIKey is YAVAMFPINJTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O6/c1-20-24(33-32(40-20)21-9-4-3-5-10-21)18-38-27-16-15-22(17-29(27)37-2)34-25-12-7-6-11-23(25)31-26(34)13-8-14-28(31)39-19-30(35)36/h3-17H,18-19H2,1-2H3,(H,35,36).

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

2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid has a molecular weight of 534.57 g/mol, XLogP of 6.80, 9 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]carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 67139817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).