2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C17H22N4O2 — CID 95797354

About 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 95797354) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 95797354
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
• SMILES: Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)C(C)C)C2)on1
• InChI: InChI=1S/C17H22N4O2/c1-11(2)17(22)21-6-4-5-13(9-21)16-14(8-18-10-19-16)15-7-12(3)20-23-15/h7-8,10-11,13H,4-6,9H2,1-3H3/t13-/m0/s1
• InChIKey: CKWGDGPLWDDURS-ZDUSSCGKSA-N
• XLogP: 2.80
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 95797354) is 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)C(C)C)C2)on1.

What is the InChIKey of 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The InChIKey is CKWGDGPLWDDURS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)17(22)21-6-4-5-13(9-21)16-14(8-18-10-19-16)15-7-12(3)20-23-15/h7-8,10-11,13H,4-6,9H2,1-3H3/t13-/m0/s1.

What are the key properties of 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95797354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).