[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone

C24H20ClN3O2 — CID 110120660

About [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone

[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 110120660) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

• Compound Name: [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
• PubChem CID: 110120660
• Molecular Formula: C24H20ClN3O2
• Molecular Weight: 417.90 g/mol
• Exact Mass: 417.12
• IUPAC Name: [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
• SMILES: O=C(c1ccc2ccccc2n1)N1CCCC1c1ncc(Cc2ccc(Cl)cc2)o1
• InChI: InChI=1S/C24H20ClN3O2/c25-18-10-7-16(8-11-18)14-19-15-26-23(30-19)22-6-3-13-28(22)24(29)21-12-9-17-4-1-2-5-20(17)27-21/h1-2,4-5,7-12,15,22H,3,6,13-14H2
• InChIKey: FFFAXTOZORSASL-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.90
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?

The IUPAC name of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 110120660) is [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone.

What is the SMILES notation for [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?

The canonical SMILES for [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCC1c1ncc(Cc2ccc(Cl)cc2)o1.

What is the InChIKey of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?

The InChIKey is FFFAXTOZORSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-18-10-7-16(8-11-18)14-19-15-26-23(30-19)22-6-3-13-28(22)24(29)21-12-9-17-4-1-2-5-20(17)27-21/h1-2,4-5,7-12,15,22H,3,6,13-14H2.

What are the key properties of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?

[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 417.90 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 110120660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).