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

C20H21ClN4O2 — CID 125020902

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

1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 125020902) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
• PubChem CID: 125020902
• Molecular Formula: C20H21ClN4O2
• Molecular Weight: 384.87 g/mol
• Exact Mass: 384.14
• IUPAC Name: 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
• SMILES: O=C(Cn1cccn1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1
• InChI: InChI=1S/C20H21ClN4O2/c21-18-7-2-1-5-15(18)11-17-12-22-20(27-17)16-6-3-9-24(13-16)19(26)14-25-10-4-8-23-25/h1-2,4-5,7-8,10,12,16H,3,6,9,11,13-14H2/t16-/m1/s1
• InChIKey: YGASJBZWKFJXPG-MRXNPFEDSA-N
• XLogP: 3.52
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.87
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 125020902) is 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.

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

The canonical SMILES for 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1.

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

The InChIKey is YGASJBZWKFJXPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-18-7-2-1-5-15(18)11-17-12-22-20(27-17)16-6-3-9-24(13-16)19(26)14-25-10-4-8-23-25/h1-2,4-5,7-8,10,12,16H,3,6,9,11,13-14H2/t16-/m1/s1.

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

1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 384.87 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 125020902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).