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

C81H101N11O5 — CID 157207577

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

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine) (PubChem CID 157207577) has the molecular formula C81H101N11O5 and a molecular weight of 1308.77 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine).

Molecular Properties

• Compound Name: N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine)
• PubChem CID: 157207577
• Molecular Formula: C81H101N11O5
• Molecular Weight: 1308.77 g/mol
• Exact Mass: 1307.80
• IUPAC Name: N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine)
• SMILES: COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1.Cc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.Cc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.Cc1cccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c1
• InChI: InChI=1S/C21H26N2O2.3C20H25N3O/c1-24-19-4-2-17(3-5-19)20-23-18(13-25-20)12-22-21-9-14-6-15(10-21)8-16(7-14)11-21;2*1-13-2-4-17(5-3-13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-13-3-2-4-17(5-13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3;3*2-5,14-16,21H,6-12H2,1H3
• InChIKey: ARNHUDBEXLCMMV-UHFFFAOYSA-N
• XLogP: 16.72
• TPSA: 200.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1308.77
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine) (CID 157207577) is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine).

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

The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine) is COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1.Cc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.Cc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.Cc1cccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.

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

The InChIKey is ARNHUDBEXLCMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.3C20H25N3O/c1-24-19-4-2-17(3-5-19)20-23-18(13-25-20)12-22-21-9-14-6-15(10-21)8-16(7-14)11-21;2*1-13-2-4-17(5-3-13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-13-3-2-4-17(5-13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3;3*2-5,14-16,21H,6-12H2,1H3.

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

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine) has a molecular weight of 1308.77 g/mol, XLogP of 16.72, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;bis(N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine) is sourced from PubChem (CID 157207577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).