2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride

C29H36ClN5O4 — CID 67292139

About 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride

2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 67292139) has the molecular formula C29H36ClN5O4 and a molecular weight of 554.09 g/mol. Its IUPAC name is 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 67292139
• Molecular Formula: C29H36ClN5O4
• Molecular Weight: 554.09 g/mol
• Exact Mass: 553.25
• IUPAC Name: 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(C)(C)C(=O)N[C@H](C)CO)CC4)no2)cc1C#N.Cl
• InChI: InChI=1S/C29H35N5O4.ClH/c1-18(2)37-25-9-8-23(15-24(25)16-30)27-32-26(33-38-27)22-7-6-20-10-12-34(13-11-21(20)14-22)29(4,5)28(36)31-19(3)17-35;/h6-9,14-15,18-19,35H,10-13,17H2,1-5H3,(H,31,36);1H/t19-;/m1./s1
• InChIKey: FTMXGPGDAGVTQV-FSRHSHDFSA-N
• XLogP: 4.16
• TPSA: 124.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.09
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The IUPAC name of 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride (CID 67292139) is 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride.

What is the SMILES notation for 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride is CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(C)(C)C(=O)N[C@H](C)CO)CC4)no2)cc1C#N.Cl.

What is the InChIKey of 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The InChIKey is FTMXGPGDAGVTQV-FSRHSHDFSA-N. The full InChI is InChI=1S/C29H35N5O4.ClH/c1-18(2)37-25-9-8-23(15-24(25)16-30)27-32-26(33-38-27)22-7-6-20-10-12-34(13-11-21(20)14-22)29(4,5)28(36)31-19(3)17-35;/h6-9,14-15,18-19,35H,10-13,17H2,1-5H3,(H,31,36);1H/t19-;/m1./s1.

What are the key properties of 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride?

2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 554.09 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 67292139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).