3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

C16H21N3O4 — CID 129327171

About 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 129327171) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
• PubChem CID: 129327171
• Molecular Formula: C16H21N3O4
• Molecular Weight: 319.36 g/mol
• Exact Mass: 319.15
• IUPAC Name: 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
• SMILES: CC(C)c1nnc([C@H]2CN(C(=O)CCc3ccoc3)CCO2)o1
• InChI: InChI=1S/C16H21N3O4/c1-11(2)15-17-18-16(23-15)13-9-19(6-8-22-13)14(20)4-3-12-5-7-21-10-12/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3/t13-/m1/s1
• InChIKey: QTKJCIXBCGTAIO-CYBMUJFWSA-N
• XLogP: 2.32
• TPSA: 81.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.36
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?

The IUPAC name of 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (CID 129327171) is 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.

What is the SMILES notation for 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?

The canonical SMILES for 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is CC(C)c1nnc([C@H]2CN(C(=O)CCc3ccoc3)CCO2)o1.

What is the InChIKey of 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?

The InChIKey is QTKJCIXBCGTAIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11(2)15-17-18-16(23-15)13-9-19(6-8-22-13)14(20)4-3-12-5-7-21-10-12/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3/t13-/m1/s1.

What are the key properties of 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?

3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 319.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129327171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).