2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol

C21H19N5O2 — CID 91438968

About 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol

2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol (PubChem CID 91438968) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol
• PubChem CID: 91438968
• Molecular Formula: C21H19N5O2
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.15
• IUPAC Name: 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol
• SMILES: CC(C)(O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1
• InChI: InChI=1S/C21H19N5O2/c1-21(2,27)15-10-8-13(9-11-15)16-12-23-18(22)17(24-16)20-26-25-19(28-20)14-6-4-3-5-7-14/h3-12,27H,1-2H3,(H2,22,23)
• InChIKey: RVSRXYFAGKYANQ-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 110.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol?

The IUPAC name of 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol (CID 91438968) is 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol.

What is the SMILES notation for 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol?

The canonical SMILES for 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1.

What is the InChIKey of 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol?

The InChIKey is RVSRXYFAGKYANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-21(2,27)15-10-8-13(9-11-15)16-12-23-18(22)17(24-16)20-26-25-19(28-20)14-6-4-3-5-7-14/h3-12,27H,1-2H3,(H2,22,23).

What are the key properties of 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol?

2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol has a molecular weight of 373.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 91438968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).