N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide

C30H34N4O2 — CID 69095726

About N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide

N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 69095726) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

• Compound Name: N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide
• PubChem CID: 69095726
• Molecular Formula: C30H34N4O2
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.27
• IUPAC Name: N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide
• SMILES: Cc1cc(-c2cccc(C(=O)NC3(CCN4CCc5ccc(C#N)cc5CC4)CCCCC3)c2)no1
• InChI: InChI=1S/C30H34N4O2/c1-22-18-28(33-36-22)26-6-5-7-27(20-26)29(35)32-30(12-3-2-4-13-30)14-17-34-15-10-24-9-8-23(21-31)19-25(24)11-16-34/h5-9,18-20H,2-4,10-17H2,1H3,(H,32,35)
• InChIKey: WCXLNJSPELXWJN-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 82.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide?

The IUPAC name of N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 69095726) is N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide.

What is the SMILES notation for N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide?

The canonical SMILES for N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(-c2cccc(C(=O)NC3(CCN4CCc5ccc(C#N)cc5CC4)CCCCC3)c2)no1.

What is the InChIKey of N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide?

The InChIKey is WCXLNJSPELXWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-22-18-28(33-36-22)26-6-5-7-27(20-26)29(35)32-30(12-3-2-4-13-30)14-17-34-15-10-24-9-8-23(21-31)19-25(24)11-16-34/h5-9,18-20H,2-4,10-17H2,1H3,(H,32,35).

What are the key properties of N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide?

N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 482.63 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 69095726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).