[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone

C24H20ClFN4O2 — CID 110120776

About [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone

[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 110120776) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

• Compound Name: [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
• PubChem CID: 110120776
• Molecular Formula: C24H20ClFN4O2
• Molecular Weight: 450.90 g/mol
• Exact Mass: 450.13
• IUPAC Name: [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
• SMILES: O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC1c1ncc(Cc2cccc(Cl)c2)o1
• InChI: InChI=1S/C24H20ClFN4O2/c25-16-6-3-5-15(11-16)12-17-14-27-23(32-17)22-9-4-10-30(22)24(31)21-13-20(28-29-21)18-7-1-2-8-19(18)26/h1-3,5-8,11,13-14,22H,4,9-10,12H2,(H,28,29)
• InChIKey: ZHBCDLYRALGVES-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.90
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 110120776) is [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone.

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

The canonical SMILES for [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone is O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC1c1ncc(Cc2cccc(Cl)c2)o1.

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

The InChIKey is ZHBCDLYRALGVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c25-16-6-3-5-15(11-16)12-17-14-27-23(32-17)22-9-4-10-30(22)24(31)21-13-20(28-29-21)18-7-1-2-8-19(18)26/h1-3,5-8,11,13-14,22H,4,9-10,12H2,(H,28,29).

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

[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 450.90 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 110120776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).