[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C21H22ClN3O3 — CID 124978296

About [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 124978296) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
• PubChem CID: 124978296
• Molecular Formula: C21H22ClN3O3
• Molecular Weight: 399.88 g/mol
• Exact Mass: 399.13
• IUPAC Name: [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)on1
• InChI: InChI=1S/C21H22ClN3O3/c1-13(2)17-11-19(28-24-17)21(26)25-8-4-7-18(25)20-23-12-16(27-20)10-14-5-3-6-15(22)9-14/h3,5-6,9,11-13,18H,4,7-8,10H2,1-2H3/t18-/m1/s1
• InChIKey: LSWJAMNPZHXNRZ-GOSISDBHSA-N
• XLogP: 5.01
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.88
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The IUPAC name of [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 124978296) is [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

What is the SMILES notation for [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The canonical SMILES for [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)on1.

What is the InChIKey of [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

The InChIKey is LSWJAMNPZHXNRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13(2)17-11-19(28-24-17)21(26)25-8-4-7-18(25)20-23-12-16(27-20)10-14-5-3-6-15(22)9-14/h3,5-6,9,11-13,18H,4,7-8,10H2,1-2H3/t18-/m1/s1.

What are the key properties of [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?

[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 399.88 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 124978296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).