1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen

C68H81N15O9S4 — CID 158261679

IUPAC1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4sccc4OC)o3)n2)cc1)N(C)C.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3C)o2)c(OC)c1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN)s2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H27N5O4S.C22H21N5O2S.C21H21N5O3S2.6H2/c1-15(2)35(31,32)19-9-7-18(8-10-19)21-14-27-16(3)23(28-21)25-30-29-24(34-25)20-11-6-17(13-26-4)12-22(20)33-5;1-13-19(21-25-26-22(29-21)20-18(28-5)10-11-30-20)24-17(12-23-13)16-8-6-15(7-9-16)14(2)27(3)4;1-12(2)31(27,28)16-7-4-14(5-8-16)17-11-23-13(3)19(24-17)21-26-25-20(29-21)18-9-6-15(10-22)30-18;;;;;;/h6-12,14-15,26H,13H2,1-5H3;6-12H,2H2,1,3-5H3;4-9,11-12H,10,22H2,1-3H3;6*1H
InChIKeyGHYFHUUJKFTOEV-UHFFFAOYSA-N
MW1380.76 g/mol
LogP14.20
Rot. Bonds20

About 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen

1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen (PubChem CID 158261679) has the molecular formula C68H81N15O9S4 and a molecular weight of 1380.76 g/mol. Its IUPAC name is 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen.

Molecular Properties

Compound Name1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen
PubChem CID158261679
Molecular FormulaC68H81N15O9S4
Molecular Weight1380.76 g/mol
Exact Mass1379.52
IUPAC Name1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4sccc4OC)o3)n2)cc1)N(C)C.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3C)o2)c(OC)c1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN)s2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H27N5O4S.C22H21N5O2S.C21H21N5O3S2.6H2/c1-15(2)35(31,32)19-9-7-18(8-10-19)21-14-27-16(3)23(28-21)25-30-29-24(34-25)20-11-6-17(13-26-4)12-22(20)33-5;1-13-19(21-25-26-22(29-21)20-18(28-5)10-11-30-20)24-17(12-23-13)16-8-6-15(7-9-16)14(2)27(3)4;1-12(2)31(27,28)16-7-4-14(5-8-16)17-11-23-13(3)19(24-17)21-26-25-20(29-21)18-9-6-15(10-22)30-18;;;;;;/h6-12,14-15,26H,13H2,1-5H3;6-12H,2H2,1,3-5H3;4-9,11-12H,10,22H2,1-3H3;6*1H
InChIKeyGHYFHUUJKFTOEV-UHFFFAOYSA-N
XLogP14.20
TPSA322.13 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.76
LogP ≤ 514.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen?
The IUPAC name of 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen (CID 158261679) is 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen.
What is the SMILES notation for 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen?
The canonical SMILES for 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4sccc4OC)o3)n2)cc1)N(C)C.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3C)o2)c(OC)c1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN)s2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen?
The InChIKey is GHYFHUUJKFTOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S.C22H21N5O2S.C21H21N5O3S2.6H2/c1-15(2)35(31,32)19-9-7-18(8-10-19)21-14-27-16(3)23(28-21)25-30-29-24(34-25)20-11-6-17(13-26-4)12-22(20)33-5;1-13-19(21-25-26-22(29-21)20-18(28-5)10-11-30-20)24-17(12-23-13)16-8-6-15(7-9-16)14(2)27(3)4;1-12(2)31(27,28)16-7-4-14(5-8-16)17-11-23-13(3)19(24-17)21-26-25-20(29-21)18-9-6-15(10-22)30-18;;;;;;/h6-12,14-15,26H,13H2,1-5H3;6-12H,2H2,1,3-5H3;4-9,11-12H,10,22H2,1-3H3;6*1H.
What are the key properties of 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen?
1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen has a molecular weight of 1380.76 g/mol, XLogP of 14.20, 20 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;1-[4-[6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine;molecular hydrogen is sourced from PubChem (CID 158261679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).