N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine

C78H104N12O7 — CID 161354106

About N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine

N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine (PubChem CID 161354106) has the molecular formula C78H104N12O7 and a molecular weight of 1321.77 g/mol. Its IUPAC name is N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
• PubChem CID: 161354106
• Molecular Formula: C78H104N12O7
• Molecular Weight: 1321.77 g/mol
• Exact Mass: 1320.82
• IUPAC Name: N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
• SMILES: CCCc1nc(CNC23CC4CC(CC(C4)C2)C3)no1.COc1ccc(Cc2nc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1OC.COc1ccccc1-c1noc(CNC23CC4CC(CC(C4)C2)C3)n1.Cc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1
• InChI: InChI=1S/C22H29N3O3.C20H25N3O2.C20H25N3O.C16H25N3O/c1-26-18-4-3-14(8-19(18)27-2)9-21-24-20(25-28-21)13-23-22-10-15-5-16(11-22)7-17(6-15)12-22;1-24-17-5-3-2-4-16(17)19-22-18(25-23-19)12-21-20-9-13-6-14(10-20)8-15(7-13)11-20;1-13-4-2-3-5-17(13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-2-3-15-18-14(19-20-15)10-17-16-7-11-4-12(8-16)6-13(5-11)9-16/h3-4,8,15-17,23H,5-7,9-13H2,1-2H3;2-5,13-15,21H,6-12H2,1H3;2-5,14-16,21H,6-12H2,1H3;11-13,17H,2-10H2,1H3
• InChIKey: VOHQVFLRXYRMAB-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 231.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1321.77
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine (CID 161354106) is N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine.

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

The canonical SMILES for N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine is CCCc1nc(CNC23CC4CC(CC(C4)C2)C3)no1.COc1ccc(Cc2nc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1OC.COc1ccccc1-c1noc(CNC23CC4CC(CC(C4)C2)C3)n1.Cc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1.

What is the InChIKey of N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?

The InChIKey is VOHQVFLRXYRMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3.C20H25N3O2.C20H25N3O.C16H25N3O/c1-26-18-4-3-14(8-19(18)27-2)9-21-24-20(25-28-21)13-23-22-10-15-5-16(11-22)7-17(6-15)12-22;1-24-17-5-3-2-4-16(17)19-22-18(25-23-19)12-21-20-9-13-6-14(10-20)8-15(7-13)11-20;1-13-4-2-3-5-17(13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-2-3-15-18-14(19-20-15)10-17-16-7-11-4-12(8-16)6-13(5-11)9-16/h3-4,8,15-17,23H,5-7,9-13H2,1-2H3;2-5,13-15,21H,6-12H2,1H3;2-5,14-16,21H,6-12H2,1H3;11-13,17H,2-10H2,1H3.

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

N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine has a molecular weight of 1321.77 g/mol, XLogP of 14.72, 21 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 161354106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).