N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide

C21H20N6O5 — CID 71788484

About N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide

N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide (PubChem CID 71788484) has the molecular formula C21H20N6O5 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide
• PubChem CID: 71788484
• Molecular Formula: C21H20N6O5
• Molecular Weight: 436.43 g/mol
• Exact Mass: 436.15
• IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide
• SMILES: O=C(Nc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)co1)c1cnccn1
• InChI: InChI=1S/C21H20N6O5/c28-19(15-10-22-3-4-23-15)25-21-24-16(12-30-21)20(29)27-7-5-26(6-8-27)11-14-1-2-17-18(9-14)32-13-31-17/h1-4,9-10,12H,5-8,11,13H2,(H,24,25,28)
• InChIKey: HITSCEYGWIELJG-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 122.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.43
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide (CID 71788484) is N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)co1)c1cnccn1.

What is the InChIKey of N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide?

The InChIKey is HITSCEYGWIELJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O5/c28-19(15-10-22-3-4-23-15)25-21-24-16(12-30-21)20(29)27-7-5-26(6-8-27)11-14-1-2-17-18(9-14)32-13-31-17/h1-4,9-10,12H,5-8,11,13H2,(H,24,25,28).

What are the key properties of N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide?

N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71788484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).