N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

C126H158F2N16O9S — CID 158142793

About N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (PubChem CID 158142793) has the molecular formula C126H158F2N16O9S and a molecular weight of 2110.82 g/mol. Its IUPAC name is N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

• Compound Name: N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
• PubChem CID: 158142793
• Molecular Formula: C126H158F2N16O9S
• Molecular Weight: 2110.82 g/mol
• Exact Mass: 2109.21
• IUPAC Name: N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
• SMILES: CCc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.CCc1ccc(-c2noc(CNC34CC5CC(CC(C5)C3)C4)n2)cc1OC.COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c(OC)c1.CSc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.Cc1cc(F)cc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.Cc1cccc(F)c1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1
• InChI: InChI=1S/C22H29N3O2.C22H28N2O.C21H27N3O3.C21H26N2OS.2C20H24FN3O/c1-3-17-4-5-18(9-19(17)26-2)21-24-20(27-25-21)13-23-22-10-14-6-15(11-22)8-16(7-14)12-22;1-2-15-3-5-19(6-4-15)21-10-20(24-25-21)14-23-22-11-16-7-17(12-22)9-18(8-16)13-22;1-25-16-3-4-17(18(8-16)26-2)20-23-19(24-27-20)12-22-21-9-13-5-14(10-21)7-15(6-13)11-21;1-25-19-4-2-17(3-5-19)20-9-18(23-24-20)13-22-21-10-14-6-15(11-21)8-16(7-14)12-21;1-12-2-16(7-17(21)3-12)19-23-18(24-25-19)11-22-20-8-13-4-14(9-20)6-15(5-13)10-20;1-12-3-2-4-16(21)18(12)19-23-17(24-25-19)11-22-20-8-13-5-14(9-20)7-15(6-13)10-20/h4-5,9,14-16,23H,3,6-8,10-13H2,1-2H3;3-6,10,16-18,23H,2,7-9,11-14H2,1H3;3-4,8,13-15,22H,5-7,9-12H2,1-2H3;2-5,9,14-16,22H,6-8,10-13H2,1H3;2-3,7,13-15,22H,4-6,8-11H2,1H3;2-4,13-15,22H,5-11H2,1H3
• InChIKey: FUDMCVMUQJOTEF-UHFFFAOYSA-N
• XLogP: 26.75
• TPSA: 307.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.82
LogP ≤ 5	26.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?

The IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (CID 158142793) is N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

What is the SMILES notation for N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?

The canonical SMILES for N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is CCc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.CCc1ccc(-c2noc(CNC34CC5CC(CC(C5)C3)C4)n2)cc1OC.COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c(OC)c1.CSc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.Cc1cc(F)cc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.Cc1cccc(F)c1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1.

What is the InChIKey of N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?

The InChIKey is FUDMCVMUQJOTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C22H28N2O.C21H27N3O3.C21H26N2OS.2C20H24FN3O/c1-3-17-4-5-18(9-19(17)26-2)21-24-20(27-25-21)13-23-22-10-14-6-15(11-22)8-16(7-14)12-22;1-2-15-3-5-19(6-4-15)21-10-20(24-25-21)14-23-22-11-16-7-17(12-22)9-18(8-16)13-22;1-25-16-3-4-17(18(8-16)26-2)20-23-19(24-27-20)12-22-21-9-13-5-14(10-21)7-15(6-13)11-21;1-25-19-4-2-17(3-5-19)20-9-18(23-24-20)13-22-21-10-14-6-15(11-21)8-16(7-14)12-21;1-12-2-16(7-17(21)3-12)19-23-18(24-25-19)11-22-20-8-13-4-14(9-20)6-15(5-13)10-20;1-12-3-2-4-16(21)18(12)19-23-17(24-25-19)11-22-20-8-13-5-14(9-20)7-15(6-13)10-20/h4-5,9,14-16,23H,3,6-8,10-13H2,1-2H3;3-6,10,16-18,23H,2,7-9,11-14H2,1H3;3-4,8,13-15,22H,5-7,9-12H2,1-2H3;2-5,9,14-16,22H,6-8,10-13H2,1H3;2-3,7,13-15,22H,4-6,8-11H2,1H3;2-4,13-15,22H,5-11H2,1H3.

What are the key properties of N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?

N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 2110.82 g/mol, XLogP of 26.75, 30 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(4-ethyl-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 158142793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).