1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone

C21H24N4O3 — CID 124995446

About 1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 124995446) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

• Compound Name: 1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
• PubChem CID: 124995446
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
• SMILES: COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)Cn3cccn3)C2)o1
• InChI: InChI=1S/C21H24N4O3/c1-27-19-8-3-2-6-16(19)12-18-13-22-21(28-18)17-7-4-10-24(14-17)20(26)15-25-11-5-9-23-25/h2-3,5-6,8-9,11,13,17H,4,7,10,12,14-15H2,1H3/t17-/m0/s1
• InChIKey: QMGZEDPEIWWUEU-KRWDZBQOSA-N
• XLogP: 2.88
• TPSA: 73.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 124995446) is 1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.

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

The canonical SMILES for 1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)Cn3cccn3)C2)o1.

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

The InChIKey is QMGZEDPEIWWUEU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-19-8-3-2-6-16(19)12-18-13-22-21(28-18)17-7-4-10-24(14-17)20(26)15-25-11-5-9-23-25/h2-3,5-6,8-9,11,13,17H,4,7,10,12,14-15H2,1H3/t17-/m0/s1.

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

1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 380.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 124995446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).