3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide

C24H25N7O6 — CID 160680331

About 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide

3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide (PubChem CID 160680331) has the molecular formula C24H25N7O6 and a molecular weight of 507.51 g/mol. Its IUPAC name is 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide.

Molecular Properties

• Compound Name: 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide
• PubChem CID: 160680331
• Molecular Formula: C24H25N7O6
• Molecular Weight: 507.51 g/mol
• Exact Mass: 507.19
• IUPAC Name: 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide
• SMILES: CCC(=O)c1noc(-c2cnc(Oc3cc(O[C@@H](C)COC)cc(C(=O)Nc4ccn(C)n4)c3)cn2)n1
• InChI: InChI=1S/C24H25N7O6/c1-5-19(32)22-28-24(37-30-22)18-11-26-21(12-25-18)36-17-9-15(8-16(10-17)35-14(2)13-34-4)23(33)27-20-6-7-31(3)29-20/h6-12,14H,5,13H2,1-4H3,(H,27,29,33)/t14-/m0/s1
• InChIKey: ROBFCOSSHGAWFH-AWEZNQCLSA-N
• XLogP: 3.31
• TPSA: 156.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.51
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide?

The IUPAC name of 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide (CID 160680331) is 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide.

What is the SMILES notation for 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide?

The canonical SMILES for 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide is CCC(=O)c1noc(-c2cnc(Oc3cc(O[C@@H](C)COC)cc(C(=O)Nc4ccn(C)n4)c3)cn2)n1.

What is the InChIKey of 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide?

The InChIKey is ROBFCOSSHGAWFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25N7O6/c1-5-19(32)22-28-24(37-30-22)18-11-26-21(12-25-18)36-17-9-15(8-16(10-17)35-14(2)13-34-4)23(33)27-20-6-7-31(3)29-20/h6-12,14H,5,13H2,1-4H3,(H,27,29,33)/t14-/m0/s1.

What are the key properties of 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide?

3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide has a molecular weight of 507.51 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[5-(3-propanoyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxybenzamide is sourced from PubChem (CID 160680331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).