1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one

C19H28N4O3 — CID 26391579

About 1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one

1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 26391579) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
• PubChem CID: 26391579
• Molecular Formula: C19H28N4O3
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.22
• IUPAC Name: 1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
• SMILES: CCN(CC)[C@H]1CCN(C(=O)CCc2nnc(-c3cc(C)oc3C)o2)C1
• InChI: InChI=1S/C19H28N4O3/c1-5-22(6-2)15-9-10-23(12-15)18(24)8-7-17-20-21-19(26-17)16-11-13(3)25-14(16)4/h11,15H,5-10,12H2,1-4H3/t15-/m0/s1
• InChIKey: ZZOHRDWNMFJAIV-HNNXBMFYSA-N
• XLogP: 2.82
• TPSA: 75.61 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 26391579) is 1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one.

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

The canonical SMILES for 1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one is CCN(CC)[C@H]1CCN(C(=O)CCc2nnc(-c3cc(C)oc3C)o2)C1.

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

The InChIKey is ZZOHRDWNMFJAIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-5-22(6-2)15-9-10-23(12-15)18(24)8-7-17-20-21-19(26-17)16-11-13(3)25-14(16)4/h11,15H,5-10,12H2,1-4H3/t15-/m0/s1.

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

1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 360.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 26391579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).