cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C24H33N5O3 — CID 110219773

About cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110219773) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
• PubChem CID: 110219773
• Molecular Formula: C24H33N5O3
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.26
• IUPAC Name: cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
• SMILES: Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCCN(C(=O)C3CCCCC3)C2)on1
• InChI: InChI=1S/C24H33N5O3/c1-17-14-21(32-27-17)20-15-25-24(28-10-12-31-13-11-28)26-22(20)19-8-5-9-29(16-19)23(30)18-6-3-2-4-7-18/h14-15,18-19H,2-13,16H2,1H3
• InChIKey: IGFCZMHIMCQOPD-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 84.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 110219773) is cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCCN(C(=O)C3CCCCC3)C2)on1.

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

The InChIKey is IGFCZMHIMCQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-17-14-21(32-27-17)20-15-25-24(28-10-12-31-13-11-28)26-22(20)19-8-5-9-29(16-19)23(30)18-6-3-2-4-7-18/h14-15,18-19H,2-13,16H2,1H3.

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

cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 439.56 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110219773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).