N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide

C26H36N4O5 — CID 58760374

About N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide

N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide (PubChem CID 58760374) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide
• PubChem CID: 58760374
• Molecular Formula: C26H36N4O5
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.27
• IUPAC Name: N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide
• SMILES: CC(C)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)c1nn(CC(C)C)c(=O)o1
• InChI: InChI=1S/C26H36N4O5/c1-16(2)14-21(22(31)25-29-30(15-17(3)4)26(34)35-25)28-24(33)19-12-8-9-13-20(19)27-23(32)18-10-6-5-7-11-18/h5-7,10-11,16-17,19-21H,8-9,12-15H2,1-4H3,(H,27,32)(H,28,33)/t19-,20-,21-/m0/s1
• InChIKey: GSXXTJIQPZIGLW-ACRUOGEOSA-N
• XLogP: 3.19
• TPSA: 123.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide?

The IUPAC name of N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide (CID 58760374) is N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide.

What is the SMILES notation for N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide?

The canonical SMILES for N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide is CC(C)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)c1nn(CC(C)C)c(=O)o1.

What is the InChIKey of N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide?

The InChIKey is GSXXTJIQPZIGLW-ACRUOGEOSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-16(2)14-21(22(31)25-29-30(15-17(3)4)26(34)35-25)28-24(33)19-12-8-9-13-20(19)27-23(32)18-10-6-5-7-11-18/h5-7,10-11,16-17,19-21H,8-9,12-15H2,1-4H3,(H,27,32)(H,28,33)/t19-,20-,21-/m0/s1.

What are the key properties of N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide?

N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide is sourced from PubChem (CID 58760374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).