1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

C62H80N16O7S2 — CID 158559985

About 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 158559985) has the molecular formula C62H80N16O7S2 and a molecular weight of 1225.56 g/mol. Its IUPAC name is 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• PubChem CID: 158559985
• Molecular Formula: C62H80N16O7S2
• Molecular Weight: 1225.56 g/mol
• Exact Mass: 1224.58
• IUPAC Name: 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• SMILES: C=C(C)c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(N2CC(N)C2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(N2CCC(N)CC2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H18N4O.C21H26N6O3S.C19H22N6O3S.7H2/c1-14(2)16-9-11-17(12-10-16)19-13-23-15(3)20(24-19)22-26-25-21(27-22)18-7-5-4-6-8-18;1-13(2)31(28,29)17-6-4-15(5-7-17)18-12-23-14(3)19(24-18)20-25-26-21(30-20)27-10-8-16(22)9-11-27;1-11(2)29(26,27)15-6-4-13(5-7-15)16-8-21-12(3)17(22-16)18-23-24-19(28-18)25-9-14(20)10-25;;;;;;;/h4-13H,1H2,2-3H3;4-7,12-13,16H,8-11,22H2,1-3H3;4-8,11,14H,9-10,20H2,1-3H3;7*1H
• InChIKey: HQTKXUQWAFSZAL-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 320.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.56
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The IUPAC name of 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (CID 158559985) is 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

What is the SMILES notation for 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The canonical SMILES for 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is C=C(C)c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(N2CC(N)C2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(N2CCC(N)CC2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The InChIKey is HQTKXUQWAFSZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C21H26N6O3S.C19H22N6O3S.7H2/c1-14(2)16-9-11-17(12-10-16)19-13-23-15(3)20(24-19)22-26-25-21(27-22)18-7-5-4-6-8-18;1-13(2)31(28,29)17-6-4-15(5-7-17)18-12-23-14(3)19(24-18)20-25-26-21(30-20)27-10-8-16(22)9-11-27;1-11(2)29(26,27)15-6-4-13(5-7-15)16-8-21-12(3)17(22-16)18-23-24-19(28-18)25-9-14(20)10-25;;;;;;;/h4-13H,1H2,2-3H3;4-7,12-13,16H,8-11,22H2,1-3H3;4-8,11,14H,9-10,20H2,1-3H3;7*1H.

What are the key properties of 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 1225.56 g/mol, XLogP of 11.37, 14 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-amine;1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;2-[3-methyl-6-(4-prop-1-en-2-ylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 158559985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).