[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C19H23N3O3 — CID 95734693

About [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95734693) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
• PubChem CID: 95734693
• Molecular Formula: C19H23N3O3
• Molecular Weight: 341.41 g/mol
• Exact Mass: 341.17
• IUPAC Name: [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
• SMILES: CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)no1
• InChI: InChI=1S/C19H23N3O3/c1-12(2)18-20-17(21-25-18)14-7-5-9-22(11-14)19(23)16-10-13-6-3-4-8-15(13)24-16/h3-4,6,8,12,14,16H,5,7,9-11H2,1-2H3/t14-,16-/m0/s1
• InChIKey: KKMTVGKLWULYTJ-HOCLYGCPSA-N
• XLogP: 2.90
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.41
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 95734693) is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)no1.

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

The InChIKey is KKMTVGKLWULYTJ-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)18-20-17(21-25-18)14-7-5-9-22(11-14)19(23)16-10-13-6-3-4-8-15(13)24-16/h3-4,6,8,12,14,16H,5,7,9-11H2,1-2H3/t14-,16-/m0/s1.

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

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95734693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).