3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C16H22N4O2S — CID 124609264

About 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 124609264) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 124609264
• Molecular Formula: C16H22N4O2S
• Molecular Weight: 334.44 g/mol
• Exact Mass: 334.15
• IUPAC Name: 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
• SMILES: CC(C)c1nnc(CCC(=O)N2CCC[C@H](c3nccs3)C2)o1
• InChI: InChI=1S/C16H22N4O2S/c1-11(2)15-19-18-13(22-15)5-6-14(21)20-8-3-4-12(10-20)16-17-7-9-23-16/h7,9,11-12H,3-6,8,10H2,1-2H3/t12-/m0/s1
• InChIKey: OWDQSGGDJCBIPV-LBPRGKRZSA-N
• XLogP: 2.99
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.44
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 124609264) is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

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

The canonical SMILES for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is CC(C)c1nnc(CCC(=O)N2CCC[C@H](c3nccs3)C2)o1.

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

The InChIKey is OWDQSGGDJCBIPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11(2)15-19-18-13(22-15)5-6-14(21)20-8-3-4-12(10-20)16-17-7-9-23-16/h7,9,11-12H,3-6,8,10H2,1-2H3/t12-/m0/s1.

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

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 334.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124609264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).