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

C22H24N4O3 — CID 110120019

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

[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 110120019) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

• Compound Name: [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
• PubChem CID: 110120019
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
• SMILES: COc1cccc(Cc2cnc(C3CCCN(C(=O)c4ccnc(C)n4)C3)o2)c1
• InChI: InChI=1S/C22H24N4O3/c1-15-23-9-8-20(25-15)22(27)26-10-4-6-17(14-26)21-24-13-19(29-21)12-16-5-3-7-18(11-16)28-2/h3,5,7-9,11,13,17H,4,6,10,12,14H2,1-2H3
• InChIKey: XIKQEIRZZJAVPO-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone (CID 110120019) is [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone.

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

The canonical SMILES for [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone is COc1cccc(Cc2cnc(C3CCCN(C(=O)c4ccnc(C)n4)C3)o2)c1.

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

The InChIKey is XIKQEIRZZJAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-23-9-8-20(25-15)22(27)26-10-4-6-17(14-26)21-24-13-19(29-21)12-16-5-3-7-18(11-16)28-2/h3,5,7-9,11,13,17H,4,6,10,12,14H2,1-2H3.

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

[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 110120019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).