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

C23H28N4O3 — CID 110119465

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

[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 110119465) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
• PubChem CID: 110119465
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
• SMILES: COc1ccccc1Cc1cnc(C2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)o1
• InChI: InChI=1S/C23H28N4O3/c1-15(2)19-12-20(26-25-19)23(28)27-10-6-8-17(14-27)22-24-13-18(30-22)11-16-7-4-5-9-21(16)29-3/h4-5,7,9,12-13,15,17H,6,8,10-11,14H2,1-3H3,(H,25,26)
• InChIKey: OAJBLVZQPOXNAG-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 110119465) is [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

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

The canonical SMILES for [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is COc1ccccc1Cc1cnc(C2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)o1.

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

The InChIKey is OAJBLVZQPOXNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15(2)19-12-20(26-25-19)23(28)27-10-6-8-17(14-27)22-24-13-18(30-22)11-16-7-4-5-9-21(16)29-3/h4-5,7,9,12-13,15,17H,6,8,10-11,14H2,1-3H3,(H,25,26).

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

[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 408.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 110119465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).