N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine

C23H21ClN6O — CID 161434582

About N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine

N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 161434582) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 161434582
• Molecular Formula: C23H21ClN6O
• Molecular Weight: 432.92 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4ccc(Cl)cc4)o3)n2)cc1)N(C)C
• InChI: InChI=1S/C23H21ClN6O/c1-14-21(22-28-29-23(31-22)26-19-11-9-18(24)10-12-19)27-20(13-25-14)17-7-5-16(6-8-17)15(2)30(3)4/h5-13H,2H2,1,3-4H3,(H,26,29)
• InChIKey: ZVSZKMOLFFHUFT-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 79.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.92
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine (CID 161434582) is N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine is C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4ccc(Cl)cc4)o3)n2)cc1)N(C)C.

What is the InChIKey of N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?

The InChIKey is ZVSZKMOLFFHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c1-14-21(22-28-29-23(31-22)26-19-11-9-18(24)10-12-19)27-20(13-25-14)17-7-5-16(6-8-17)15(2)30(3)4/h5-13H,2H2,1,3-4H3,(H,26,29).

What are the key properties of N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine?

N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 432.92 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 161434582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).