[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone

C24H21ClN4O2S — CID 110121419

About [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone

[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone (PubChem CID 110121419) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
• PubChem CID: 110121419
• Molecular Formula: C24H21ClN4O2S
• Molecular Weight: 464.98 g/mol
• Exact Mass: 464.11
• IUPAC Name: [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
• SMILES: O=C(c1cccnc1-c1cncs1)N1CCCCC1c1ncc(Cc2ccc(Cl)cc2)o1
• InChI: InChI=1S/C24H21ClN4O2S/c25-17-8-6-16(7-9-17)12-18-13-28-23(31-18)20-5-1-2-11-29(20)24(30)19-4-3-10-27-22(19)21-14-26-15-32-21/h3-4,6-10,13-15,20H,1-2,5,11-12H2
• InChIKey: JXJPELPEKWVTCK-UHFFFAOYSA-N
• XLogP: 5.80
• 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	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone (CID 110121419) is [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone.

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

The canonical SMILES for [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone is O=C(c1cccnc1-c1cncs1)N1CCCCC1c1ncc(Cc2ccc(Cl)cc2)o1.

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

The InChIKey is JXJPELPEKWVTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c25-17-8-6-16(7-9-17)12-18-13-28-23(31-18)20-5-1-2-11-29(20)24(30)19-4-3-10-27-22(19)21-14-26-15-32-21/h3-4,6-10,13-15,20H,1-2,5,11-12H2.

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

[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone has a molecular weight of 464.98 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 110121419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).