N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine

C26H27N5O2 — CID 158646590

About N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine

N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine (PubChem CID 158646590) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine
• PubChem CID: 158646590
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4OC(C)C)o3)n2)cc1)N(C)C
• InChI: InChI=1S/C26H27N5O2/c1-16(2)32-23-10-8-7-9-21(23)25-29-30-26(33-25)24-17(3)27-15-22(28-24)20-13-11-19(12-14-20)18(4)31(5)6/h7-16H,4H2,1-3,5-6H3
• InChIKey: OUEGHIWHPKIALL-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 77.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine?

The IUPAC name of N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine (CID 158646590) is N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine.

What is the SMILES notation for N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine?

The canonical SMILES for N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4OC(C)C)o3)n2)cc1)N(C)C.

What is the InChIKey of N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine?

The InChIKey is OUEGHIWHPKIALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16(2)32-23-10-8-7-9-21(23)25-29-30-26(33-25)24-17(3)27-15-22(28-24)20-13-11-19(12-14-20)18(4)31(5)6/h7-16H,4H2,1-3,5-6H3.

What are the key properties of N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine?

N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine has a molecular weight of 441.54 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine is sourced from PubChem (CID 158646590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).