2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine

C84H119N17O4 — CID 159815864

About 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine

2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine (PubChem CID 159815864) has the molecular formula C84H119N17O4 and a molecular weight of 1430.99 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine.

Molecular Properties

• Compound Name: 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine
• PubChem CID: 159815864
• Molecular Formula: C84H119N17O4
• Molecular Weight: 1430.99 g/mol
• Exact Mass: 1429.96
• IUPAC Name: 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine
• SMILES: CCC(CC)Nc1cc(-c2nc(C)no2)cnc1NC1CCCCC1.Cc1noc(-c2ccc(CC34CC5CC(CC(C5)C3)C4)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(CC3CCCCC3)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1
• InChI: InChI=1S/C26H35N3O.C21H30N4O.C19H29N5O.C18H25N5O/c1-17-27-25(30-29-17)21-7-8-22(24(12-21)28-23-5-3-2-4-6-23)16-26-13-18-9-19(14-26)11-20(10-18)15-26;1-15-23-21(26-25-15)17-13-20(24-18-10-6-3-7-11-18)19(22-14-17)12-16-8-4-2-5-9-16;1-4-15(5-2)22-17-11-14(19-21-13(3)24-25-19)12-20-18(17)23-16-9-7-6-8-10-16;1-12-20-18(24-23-12)13-10-16(21-14-6-2-3-7-14)17(19-11-13)22-15-8-4-5-9-15/h7-8,12,18-20,23,28H,2-6,9-11,13-16H2,1H3;13-14,16,18,24H,2-12H2,1H3;11-12,15-16,22H,4-10H2,1-3H3,(H,20,23);10-11,14-15,21H,2-9H2,1H3,(H,19,22)
• InChIKey: NLPNDFFGIZUBAQ-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 266.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1430.99
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?

The IUPAC name of 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine (CID 159815864) is 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine.

What is the SMILES notation for 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?

The canonical SMILES for 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine is CCC(CC)Nc1cc(-c2nc(C)no2)cnc1NC1CCCCC1.Cc1noc(-c2ccc(CC34CC5CC(CC(C5)C3)C4)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(CC3CCCCC3)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1.

What is the InChIKey of 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?

The InChIKey is NLPNDFFGIZUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O.C21H30N4O.C19H29N5O.C18H25N5O/c1-17-27-25(30-29-17)21-7-8-22(24(12-21)28-23-5-3-2-4-6-23)16-26-13-18-9-19(14-26)11-20(10-18)15-26;1-15-23-21(26-25-15)17-13-20(24-18-10-6-3-7-11-18)19(22-14-17)12-16-8-4-2-5-9-16;1-4-15(5-2)22-17-11-14(19-21-13(3)24-25-19)12-20-18(17)23-16-9-7-6-8-10-16;1-12-20-18(24-23-12)13-10-16(21-14-6-2-3-7-14)17(19-11-13)22-15-8-4-5-9-15/h7-8,12,18-20,23,28H,2-6,9-11,13-16H2,1H3;13-14,16,18,24H,2-12H2,1H3;11-12,15-16,22H,4-10H2,1-3H3,(H,20,23);10-11,14-15,21H,2-9H2,1H3,(H,19,22).

What are the key properties of 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?

2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine has a molecular weight of 1430.99 g/mol, XLogP of 20.79, 22 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine is sourced from PubChem (CID 159815864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).