9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide

C26H24N4O2 — CID 90375709

About 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide

9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide (PubChem CID 90375709) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide.

Molecular Properties

• Compound Name: 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide
• PubChem CID: 90375709
• Molecular Formula: C26H24N4O2
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.19
• IUPAC Name: 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide
• SMILES: CNc1ccc2c(c1)c1c(C(N)=O)cc(-c3c(C)noc3C)cc1n2Cc1ccccc1
• InChI: InChI=1S/C26H24N4O2/c1-15-24(16(2)32-29-15)18-11-21(26(27)31)25-20-13-19(28-3)9-10-22(20)30(23(25)12-18)14-17-7-5-4-6-8-17/h4-13,28H,14H2,1-3H3,(H2,27,31)
• InChIKey: UUGVHOIJFXIXQT-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 86.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide?

The IUPAC name of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide (CID 90375709) is 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide.

What is the SMILES notation for 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide?

The canonical SMILES for 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide is CNc1ccc2c(c1)c1c(C(N)=O)cc(-c3c(C)noc3C)cc1n2Cc1ccccc1.

What is the InChIKey of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide?

The InChIKey is UUGVHOIJFXIXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-15-24(16(2)32-29-15)18-11-21(26(27)31)25-20-13-19(28-3)9-10-22(20)30(23(25)12-18)14-17-7-5-4-6-8-17/h4-13,28H,14H2,1-3H3,(H2,27,31).

What are the key properties of 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide?

9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide is sourced from PubChem (CID 90375709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).