1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone

C24H21ClN4O3 — CID 125010492

About 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 125010492) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
• PubChem CID: 125010492
• Molecular Formula: C24H21ClN4O3
• Molecular Weight: 448.91 g/mol
• Exact Mass: 448.13
• IUPAC Name: 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
• SMILES: O=C(COc1ncnc2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1
• InChI: InChI=1S/C24H21ClN4O3/c25-17-9-7-16(8-10-17)12-18-13-26-24(32-18)21-6-3-11-29(21)22(30)14-31-23-19-4-1-2-5-20(19)27-15-28-23/h1-2,4-5,7-10,13,15,21H,3,6,11-12,14H2/t21-/m0/s1
• InChIKey: VJTYYWWQXNZKDO-NRFANRHFSA-N
• XLogP: 4.60
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.91
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 125010492) is 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone.

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

The canonical SMILES for 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone is O=C(COc1ncnc2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1.

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

The InChIKey is VJTYYWWQXNZKDO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-17-9-7-16(8-10-17)12-18-13-26-24(32-18)21-6-3-11-29(21)22(30)14-31-23-19-4-1-2-5-20(19)27-15-28-23/h1-2,4-5,7-10,13,15,21H,3,6,11-12,14H2/t21-/m0/s1.

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

1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 448.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 125010492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).