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

C19H19ClN4O2 — CID 125015317

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

1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 125015317) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
• PubChem CID: 125015317
• Molecular Formula: C19H19ClN4O2
• Molecular Weight: 370.84 g/mol
• Exact Mass: 370.12
• IUPAC Name: 1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
• SMILES: O=C(Cn1cccn1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1
• InChI: InChI=1S/C19H19ClN4O2/c20-15-5-1-4-14(10-15)11-16-12-21-19(26-16)17-6-2-9-24(17)18(25)13-23-8-3-7-22-23/h1,3-5,7-8,10,12,17H,2,6,9,11,13H2/t17-/m0/s1
• InChIKey: WSSOICVVYIQTQT-KRWDZBQOSA-N
• XLogP: 3.48
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.84
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 125015317) is 1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

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

The canonical SMILES for 1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1.

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

The InChIKey is WSSOICVVYIQTQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-15-5-1-4-14(10-15)11-16-12-21-19(26-16)17-6-2-9-24(17)18(25)13-23-8-3-7-22-23/h1,3-5,7-8,10,12,17H,2,6,9,11,13H2/t17-/m0/s1.

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

1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 370.84 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 125015317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).