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

C82H107FN10O6 — CID 159118820

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

N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine (PubChem CID 159118820) has the molecular formula C82H107FN10O6 and a molecular weight of 1347.82 g/mol. Its IUPAC name is N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

• Compound Name: N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine
• PubChem CID: 159118820
• Molecular Formula: C82H107FN10O6
• Molecular Weight: 1347.82 g/mol
• Exact Mass: 1346.84
• IUPAC Name: N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine
• SMILES: COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c(OC)c1.Cc1cc(F)cc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.Cc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1.c1c(CNC23CC4CC(CC(C4)C2)C3)noc1C1CCCCC1
• InChI: InChI=1S/C21H25FN2O.C21H27N3O3.C20H25N3O.C20H30N2O/c1-13-2-17(7-18(22)3-13)20-8-19(24-25-20)12-23-21-9-14-4-15(10-21)6-16(5-14)11-21;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;1-13-4-2-3-5-17(13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-2-4-17(5-3-1)19-9-18(22-23-19)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h2-3,7-8,14-16,23H,4-6,9-12H2,1H3;3-4,8,13-15,22H,5-7,9-12H2,1-2H3;2-5,14-16,21H,6-12H2,1H3;9,14-17,21H,1-8,10-13H2
• InChIKey: KFKRMLGXTMTZNX-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 196.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.82
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine (CID 159118820) is N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine.

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

The canonical SMILES for N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine is COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c(OC)c1.Cc1cc(F)cc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.Cc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1.c1c(CNC23CC4CC(CC(C4)C2)C3)noc1C1CCCCC1.

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

The InChIKey is KFKRMLGXTMTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O.C21H27N3O3.C20H25N3O.C20H30N2O/c1-13-2-17(7-18(22)3-13)20-8-19(24-25-20)12-23-21-9-14-4-15(10-21)6-16(5-14)11-21;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;1-13-4-2-3-5-17(13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-2-4-17(5-3-1)19-9-18(22-23-19)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h2-3,7-8,14-16,23H,4-6,9-12H2,1H3;3-4,8,13-15,22H,5-7,9-12H2,1-2H3;2-5,14-16,21H,6-12H2,1H3;9,14-17,21H,1-8,10-13H2.

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

N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 1347.82 g/mol, XLogP of 17.54, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyclohexyl-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-[[5-(3-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine;N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 159118820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).