4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

C16H24N6O3 — CID 129396999

About 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 129396999) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
• PubChem CID: 129396999
• Molecular Formula: C16H24N6O3
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.19
• IUPAC Name: 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
• SMILES: CCc1noc([C@@H](C)N2CCN(C(=O)NCc3cc(C)no3)CC2)n1
• InChI: InChI=1S/C16H24N6O3/c1-4-14-18-15(25-20-14)12(3)21-5-7-22(8-6-21)16(23)17-10-13-9-11(2)19-24-13/h9,12H,4-8,10H2,1-3H3,(H,17,23)/t12-/m1/s1
• InChIKey: IZGNQRDQOKDXFM-GFCCVEGCSA-N
• XLogP: 1.52
• TPSA: 100.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?

The IUPAC name of 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (CID 129396999) is 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?

The canonical SMILES for 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is CCc1noc([C@@H](C)N2CCN(C(=O)NCc3cc(C)no3)CC2)n1.

What is the InChIKey of 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?

The InChIKey is IZGNQRDQOKDXFM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-4-14-18-15(25-20-14)12(3)21-5-7-22(8-6-21)16(23)17-10-13-9-11(2)19-24-13/h9,12H,4-8,10H2,1-3H3,(H,17,23)/t12-/m1/s1.

What are the key properties of 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?

4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 129396999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).