1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C21H24ClN3O3 — CID 124956032

About 1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 124956032) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
• PubChem CID: 124956032
• Molecular Formula: C21H24ClN3O3
• Molecular Weight: 401.89 g/mol
• Exact Mass: 401.15
• IUPAC Name: 1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
• SMILES: O=C1CCCN1CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1
• InChI: InChI=1S/C21H24ClN3O3/c22-17-6-1-4-15(10-17)11-18-12-23-21(28-18)16-5-2-8-24(13-16)20(27)14-25-9-3-7-19(25)26/h1,4,6,10,12,16H,2-3,5,7-9,11,13-14H2/t16-/m0/s1
• InChIKey: FOISPDRDKUVSNC-INIZCTEOSA-N
• XLogP: 3.25
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.89
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 124956032) is 1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

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

The canonical SMILES for 1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1.

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

The InChIKey is FOISPDRDKUVSNC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-17-6-1-4-15(10-17)11-18-12-23-21(28-18)16-5-2-8-24(13-16)20(27)14-25-9-3-7-19(25)26/h1,4,6,10,12,16H,2-3,5,7-9,11,13-14H2/t16-/m0/s1.

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

1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 401.89 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 124956032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).