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

C16H23N5O2 — CID 95768717

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

3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 95768717) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 95768717
• Molecular Formula: C16H23N5O2
• Molecular Weight: 317.39 g/mol
• Exact Mass: 317.19
• IUPAC Name: 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
• SMILES: CCCc1noc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1
• InChI: InChI=1S/C16H23N5O2/c1-2-4-14-18-15(23-20-14)6-7-16(22)21-10-3-5-12(11-21)13-8-9-17-19-13/h8-9,12H,2-7,10-11H2,1H3,(H,17,19)/t12-/m0/s1
• InChIKey: MTQRTPMETJERNQ-LBPRGKRZSA-N
• XLogP: 2.08
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.39
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 95768717) is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

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

The canonical SMILES for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is CCCc1noc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1.

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

The InChIKey is MTQRTPMETJERNQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-2-4-14-18-15(23-20-14)6-7-16(22)21-10-3-5-12(11-21)13-8-9-17-19-13/h8-9,12H,2-7,10-11H2,1H3,(H,17,19)/t12-/m0/s1.

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

3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 317.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95768717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).