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

C23H19ClN4O2S — CID 125012221

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

[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone (PubChem CID 125012221) has the molecular formula C23H19ClN4O2S and a molecular weight of 450.95 g/mol. Its IUPAC name is [(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
• PubChem CID: 125012221
• Molecular Formula: C23H19ClN4O2S
• Molecular Weight: 450.95 g/mol
• Exact Mass: 450.09
• IUPAC Name: [(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
• SMILES: O=C(c1cccnc1-c1cncs1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1
• InChI: InChI=1S/C23H19ClN4O2S/c24-18-7-2-1-5-15(18)11-16-12-27-22(30-16)19-8-4-10-28(19)23(29)17-6-3-9-26-21(17)20-13-25-14-31-20/h1-3,5-7,9,12-14,19H,4,8,10-11H2/t19-/m1/s1
• InChIKey: VVWZFUURPRABSZ-LJQANCHMSA-N
• XLogP: 5.41
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.95
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone (CID 125012221) is [(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone.

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

The canonical SMILES for [(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone is O=C(c1cccnc1-c1cncs1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1.

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

The InChIKey is VVWZFUURPRABSZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H19ClN4O2S/c24-18-7-2-1-5-15(18)11-16-12-27-22(30-16)19-8-4-10-28(19)23(29)17-6-3-9-26-21(17)20-13-25-14-31-20/h1-3,5-7,9,12-14,19H,4,8,10-11H2/t19-/m1/s1.

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

[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone has a molecular weight of 450.95 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 125012221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).