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

C19H23N5O3 — CID 97130670

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

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 97130670) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 97130670
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
• SMILES: Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3nc(C(C)C)no3)n[nH]2)o1
• InChI: InChI=1S/C19H23N5O3/c1-11(2)17-20-18(27-23-17)15-6-4-5-9-24(15)19(25)14-10-13(21-22-14)16-8-7-12(3)26-16/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,21,22)/t15-/m0/s1
• InChIKey: IJFCELFUIWZZBW-HNNXBMFYSA-N
• XLogP: 3.85
• TPSA: 101.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 97130670) is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3nc(C(C)C)no3)n[nH]2)o1.

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

The InChIKey is IJFCELFUIWZZBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11(2)17-20-18(27-23-17)15-6-4-5-9-24(15)19(25)14-10-13(21-22-14)16-8-7-12(3)26-16/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,21,22)/t15-/m0/s1.

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

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97130670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).