tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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

C118H167N15O7 — CID 158742560

About tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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

tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 158742560) has the molecular formula C118H167N15O7 and a molecular weight of 1907.73 g/mol. Its IUPAC name is tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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: tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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: 158742560
• Molecular Formula: C118H167N15O7
• Molecular Weight: 1907.73 g/mol
• Exact Mass: 1906.32
• IUPAC Name: tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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: CC(C)(C)OC(=O)c1ccc(CC2CCCCC2)c(NC23CC4CC(CC(C4)C2)C3)c1.CCC(CC)Nc1cc(-c2nc(C)no2)cnc1NC1CCCCC1.Cc1cccc(C)c1CNc1cc(C(=O)OC(C)(C)C)ccc1CC12CC3CC(CC(C3)C1)C2.Cc1coc(-c2cnc(CC3CCCCC3)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1
• InChI: InChI=1S/C31H41NO2.C28H41NO2.C22H31N3O.C19H29N5O.C18H25N5O/c1-20-7-6-8-21(2)27(20)19-32-28-14-25(29(33)34-30(3,4)5)9-10-26(28)18-31-15-22-11-23(16-31)13-24(12-22)17-31;1-27(2,3)31-26(30)24-10-9-23(14-19-7-5-4-6-8-19)25(15-24)29-28-16-20-11-21(17-28)13-22(12-20)18-28;1-16-15-26-22(24-16)18-13-21(25-19-10-6-3-7-11-19)20(23-14-18)12-17-8-4-2-5-9-17;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/h6-10,14,22-24,32H,11-13,15-19H2,1-5H3;9-10,15,19-22,29H,4-8,11-14,16-18H2,1-3H3;13-15,17,19,25H,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: IMMBOISFQJFQAG-UHFFFAOYSA-N
• XLogP: 29.62
• TPSA: 279.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.73
LogP ≤ 5	29.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 158742560) is tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 CC(C)(C)OC(=O)c1ccc(CC2CCCCC2)c(NC23CC4CC(CC(C4)C2)C3)c1.CCC(CC)Nc1cc(-c2nc(C)no2)cnc1NC1CCCCC1.Cc1cccc(C)c1CNc1cc(C(=O)OC(C)(C)C)ccc1CC12CC3CC(CC(C3)C1)C2.Cc1coc(-c2cnc(CC3CCCCC3)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1.

What is the InChIKey of tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 IMMBOISFQJFQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO2.C28H41NO2.C22H31N3O.C19H29N5O.C18H25N5O/c1-20-7-6-8-21(2)27(20)19-32-28-14-25(29(33)34-30(3,4)5)9-10-26(28)18-31-15-22-11-23(16-31)13-24(12-22)17-31;1-27(2,3)31-26(30)24-10-9-23(14-19-7-5-4-6-8-19)25(15-24)29-28-16-20-11-21(17-28)13-22(12-20)18-28;1-16-15-26-22(24-16)18-13-21(25-19-10-6-3-7-11-19)20(23-14-18)12-17-8-4-2-5-9-17;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/h6-10,14,22-24,32H,11-13,15-19H2,1-5H3;9-10,15,19-22,29H,4-8,11-14,16-18H2,1-3H3;13-15,17,19,25H,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 tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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?

tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 1907.73 g/mol, XLogP of 29.62, 28 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(1-adamantylamino)-4-(cyclohexylmethyl)benzoate;tert-butyl 4-(1-adamantylmethyl)-3-[(2,6-dimethylphenyl)methylamino]benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-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 158742560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).