5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen

C24H29FN6O3S — CID 160686209

About 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen

5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen (PubChem CID 160686209) has the molecular formula C24H29FN6O3S and a molecular weight of 500.60 g/mol. Its IUPAC name is 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
• PubChem CID: 160686209
• Molecular Formula: C24H29FN6O3S
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.20
• IUPAC Name: 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
• SMILES: CC(CCN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1.[H][H].[H][H]
• InChI: InChI=1S/C24H25FN6O3S.2H2/c1-15(12-13-31(2)3)35(32,33)17-10-8-16(9-11-17)20-14-27-22(26)21(28-20)24-30-29-23(34-24)18-6-4-5-7-19(18)25;;/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27);2*1H
• InChIKey: ROUIIEOZRRGSHH-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 128.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The IUPAC name of 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen (CID 160686209) is 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen.

What is the SMILES notation for 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The canonical SMILES for 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen is CC(CCN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1.[H][H].[H][H].

What is the InChIKey of 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The InChIKey is ROUIIEOZRRGSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3S.2H2/c1-15(12-13-31(2)3)35(32,33)17-10-8-16(9-11-17)20-14-27-22(26)21(28-20)24-30-29-23(34-24)18-6-4-5-7-19(18)25;;/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27);2*1H.

What are the key properties of 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen has a molecular weight of 500.60 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 160686209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).