2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid

C28H26N2O5 — CID 23627288

About 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid

2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid (PubChem CID 23627288) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid
• PubChem CID: 23627288
• Molecular Formula: C28H26N2O5
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.18
• IUPAC Name: 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid
• SMILES: Cc1ccc(OCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c(-c2ccno2)c1
• InChI: InChI=1S/C28H26N2O5/c1-19-8-11-26(23(16-19)27-12-13-29-35-27)34-15-5-4-14-33-20-9-10-22-21-6-2-3-7-24(21)30(18-28(31)32)25(22)17-20/h2-3,6-13,16-17H,4-5,14-15,18H2,1H3,(H,31,32)
• InChIKey: OAZJCRBXXCJLOF-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 86.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid?

The IUPAC name of 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid (CID 23627288) is 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid.

What is the SMILES notation for 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid?

The canonical SMILES for 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid is Cc1ccc(OCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c(-c2ccno2)c1.

What is the InChIKey of 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid?

The InChIKey is OAZJCRBXXCJLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-19-8-11-26(23(16-19)27-12-13-29-35-27)34-15-5-4-14-33-20-9-10-22-21-6-2-3-7-24(21)30(18-28(31)32)25(22)17-20/h2-3,6-13,16-17H,4-5,14-15,18H2,1H3,(H,31,32).

What are the key properties of 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid?

2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid has a molecular weight of 470.53 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid is sourced from PubChem (CID 23627288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).