3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

C16H26N4O3 — CID 124965559

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124965559) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 124965559
• Molecular Formula: C16H26N4O3
• Molecular Weight: 322.41 g/mol
• Exact Mass: 322.20
• IUPAC Name: 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
• SMILES: CCc1noc(CCC(=O)N2CC[C@@](O)(CN3CCCC3)C2)n1
• InChI: InChI=1S/C16H26N4O3/c1-2-13-17-14(23-18-13)5-6-15(21)20-10-7-16(22,12-20)11-19-8-3-4-9-19/h22H,2-12H2,1H3/t16-/m1/s1
• InChIKey: IFQLQPZINCCTCW-MRXNPFEDSA-N
• XLogP: 0.62
• TPSA: 82.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.41
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 124965559) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is CCc1noc(CCC(=O)N2CC[C@@](O)(CN3CCCC3)C2)n1.

What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is IFQLQPZINCCTCW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-2-13-17-14(23-18-13)5-6-15(21)20-10-7-16(22,12-20)11-19-8-3-4-9-19/h22H,2-12H2,1H3/t16-/m1/s1.

What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 322.41 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124965559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).