1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C24H24N4O3 — CID 124984508

About 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 124984508) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124984508
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)o1
• InChI: InChI=1S/C24H24N4O3/c1-30-21-12-5-2-8-16(21)14-17-15-25-23(31-17)20-11-6-7-13-28(20)24(29)22-18-9-3-4-10-19(18)26-27-22/h2-5,8-10,12,15,20H,6-7,11,13-14H2,1H3,(H,26,27)/t20-/m0/s1
• InChIKey: NLDHXCNHPUOHPK-FQEVSTJZSA-N
• XLogP: 4.52
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 124984508) is 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)o1.

What is the InChIKey of 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is NLDHXCNHPUOHPK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-21-12-5-2-8-16(21)14-17-15-25-23(31-17)20-11-6-7-13-28(20)24(29)22-18-9-3-4-10-19(18)26-27-22/h2-5,8-10,12,15,20H,6-7,11,13-14H2,1H3,(H,26,27)/t20-/m0/s1.

What are the key properties of 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 416.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124984508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).