ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate

C20H17N7O5 — CID 70935910

About ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate

ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 70935910) has the molecular formula C20H17N7O5 and a molecular weight of 435.40 g/mol. Its IUPAC name is ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate
• PubChem CID: 70935910
• Molecular Formula: C20H17N7O5
• Molecular Weight: 435.40 g/mol
• Exact Mass: 435.13
• IUPAC Name: ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate
• SMILES: CCOC(=O)c1nc(-c2cnc(Oc3cccc(C(=O)Nc4ccn(C)n4)c3)cn2)no1
• InChI: InChI=1S/C20H17N7O5/c1-3-30-20(29)19-24-17(26-32-19)14-10-22-16(11-21-14)31-13-6-4-5-12(9-13)18(28)23-15-7-8-27(2)25-15/h4-11H,3H2,1-2H3,(H,23,25,28)
• InChIKey: FGZXDTRTJMXJCE-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 147.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.40
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate?

The IUPAC name of ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate (CID 70935910) is ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate.

What is the SMILES notation for ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate?

The canonical SMILES for ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2cnc(Oc3cccc(C(=O)Nc4ccn(C)n4)c3)cn2)no1.

What is the InChIKey of ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate?

The InChIKey is FGZXDTRTJMXJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O5/c1-3-30-20(29)19-24-17(26-32-19)14-10-22-16(11-21-14)31-13-6-4-5-12(9-13)18(28)23-15-7-8-27(2)25-15/h4-11H,3H2,1-2H3,(H,23,25,28).

What are the key properties of ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate?

ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 435.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]pyrazin-2-yl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 70935910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).