[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

C24H21ClN4O2S — CID 124959977

About [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 124959977) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
• PubChem CID: 124959977
• Molecular Formula: C24H21ClN4O2S
• Molecular Weight: 464.98 g/mol
• Exact Mass: 464.11
• IUPAC Name: [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
• SMILES: Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1
• InChI: InChI=1S/C24H21ClN4O2S/c1-15-21(32-23(28-15)19-5-2-3-11-26-19)24(30)29-12-4-6-20(29)22-27-14-18(31-22)13-16-7-9-17(25)10-8-16/h2-3,5,7-11,14,20H,4,6,12-13H2,1H3/t20-/m1/s1
• InChIKey: GRGBDHCZCIQRKG-HXUWFJFHSA-N
• XLogP: 5.72
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.98
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?

The IUPAC name of [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 124959977) is [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

What is the SMILES notation for [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?

The canonical SMILES for [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1.

What is the InChIKey of [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?

The InChIKey is GRGBDHCZCIQRKG-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c1-15-21(32-23(28-15)19-5-2-3-11-26-19)24(30)29-12-4-6-20(29)22-27-14-18(31-22)13-16-7-9-17(25)10-8-16/h2-3,5,7-11,14,20H,4,6,12-13H2,1H3/t20-/m1/s1.

What are the key properties of [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?

[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 464.98 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124959977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).