9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide

C29H32N4O4 — CID 166634810

About 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide

9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide (PubChem CID 166634810) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide.

Molecular Properties

• Compound Name: 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
• PubChem CID: 166634810
• Molecular Formula: C29H32N4O4
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.24
• IUPAC Name: 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
• SMILES: Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3n(CC3CC3)c2c1
• InChI: InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-24-22(9-20)27-23(28(30)34)10-21(26-17(3)31-37-18(26)4)11-25(27)33(24)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+
• InChIKey: QHQMLILXQSMAFE-IYBDPMFKSA-N
• XLogP: 4.82
• TPSA: 103.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?

The IUPAC name of 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide (CID 166634810) is 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide.

What is the SMILES notation for 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?

The canonical SMILES for 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c3cc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3n(CC3CC3)c2c1.

What is the InChIKey of 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?

The InChIKey is QHQMLILXQSMAFE-IYBDPMFKSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-24-22(9-20)27-23(28(30)34)10-21(26-17(3)31-37-18(26)4)11-25(27)33(24)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+.

What are the key properties of 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide?

9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(cyclopropylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide is sourced from PubChem (CID 166634810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).