[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

C26H25N5O3 — CID 110120041

About [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 110120041) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• PubChem CID: 110120041
• Molecular Formula: C26H25N5O3
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.20
• IUPAC Name: [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• SMILES: COc1ccc(Cc2cnc(C3CCCN(C(=O)c4cccc(-c5cncnc5)n4)C3)o2)cc1
• InChI: InChI=1S/C26H25N5O3/c1-33-21-9-7-18(8-10-21)12-22-15-29-25(34-22)19-4-3-11-31(16-19)26(32)24-6-2-5-23(30-24)20-13-27-17-28-14-20/h2,5-10,13-15,17,19H,3-4,11-12,16H2,1H3
• InChIKey: BTPZZGZPECIBSK-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 94.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The IUPAC name of [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 110120041) is [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

What is the SMILES notation for [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The canonical SMILES for [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is COc1ccc(Cc2cnc(C3CCCN(C(=O)c4cccc(-c5cncnc5)n4)C3)o2)cc1.

What is the InChIKey of [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The InChIKey is BTPZZGZPECIBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-33-21-9-7-18(8-10-21)12-22-15-29-25(34-22)19-4-3-11-31(16-19)26(32)24-6-2-5-23(30-24)20-13-27-17-28-14-20/h2,5-10,13-15,17,19H,3-4,11-12,16H2,1H3.

What are the key properties of [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 455.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 110120041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).