N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide

C26H29N3O2 — CID 11258531

About N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide

N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide (PubChem CID 11258531) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide.

Molecular Properties

• Compound Name: N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
• PubChem CID: 11258531
• Molecular Formula: C26H29N3O2
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.23
• IUPAC Name: N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
• SMILES: Cc1noc(C)c1-c1ccc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)cc1
• InChI: InChI=1S/C26H29N3O2/c1-17-25(18(2)31-28-17)20-6-8-21(9-7-20)26(30)27-23-11-10-19-12-14-29(24-4-3-5-24)15-13-22(19)16-23/h6-11,16,24H,3-5,12-15H2,1-2H3,(H,27,30)
• InChIKey: XZCQVSYNDAQLFP-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide?

The IUPAC name of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide (CID 11258531) is N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide.

What is the SMILES notation for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide?

The canonical SMILES for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide is Cc1noc(C)c1-c1ccc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)cc1.

What is the InChIKey of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide?

The InChIKey is XZCQVSYNDAQLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17-25(18(2)31-28-17)20-6-8-21(9-7-20)26(30)27-23-11-10-19-12-14-29(24-4-3-5-24)15-13-22(19)16-23/h6-11,16,24H,3-5,12-15H2,1-2H3,(H,27,30).

What are the key properties of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide?

N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 11258531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).