[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C16H22N4O3 — CID 95776392

About [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95776392) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
• PubChem CID: 95776392
• Molecular Formula: C16H22N4O3
• Molecular Weight: 318.38 g/mol
• Exact Mass: 318.17
• IUPAC Name: [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
• SMILES: CC[C@H](C)c1cc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)on1
• InChI: InChI=1S/C16H22N4O3/c1-4-10(2)13-8-14(23-18-13)16(21)20-7-5-6-12(9-20)15-17-11(3)22-19-15/h8,10,12H,4-7,9H2,1-3H3/t10-,12+/m0/s1
• InChIKey: NCUHJMOFEBWKPU-CMPLNLGQSA-N
• XLogP: 2.90
• TPSA: 85.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.38
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?

The IUPAC name of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 95776392) is [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?

The canonical SMILES for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is CC[C@H](C)c1cc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)on1.

What is the InChIKey of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?

The InChIKey is NCUHJMOFEBWKPU-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-10(2)13-8-14(23-18-13)16(21)20-7-5-6-12(9-20)15-17-11(3)22-19-15/h8,10,12H,4-7,9H2,1-3H3/t10-,12+/m0/s1.

What are the key properties of [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95776392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).