1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine

C84H119N17O4 — CID 162184271

IUPAC1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine
SMILESCCC(CC)Nc1cc(-c2nc(C)no2)cnc1NC1CCCCC1.Cc1coc(-c2ccc(NC34CC5CC(CC(C5)C3)C4)c(NC3CCCCC3)c2)n1.Cc1coc(-c2cnc(NC3CCCCC3)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1
InChIInChI=1S/C26H35N3O.C21H30N4O.C19H29N5O.C18H25N5O/c1-17-16-30-25(27-17)21-7-8-23(24(12-21)28-22-5-3-2-4-6-22)29-26-13-18-9-19(14-26)11-20(10-18)15-26;1-15-14-26-21(23-15)16-12-19(24-17-8-4-2-5-9-17)20(22-13-16)25-18-10-6-3-7-11-18;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/h7-8,12,16,18-20,22,28-29H,2-6,9-11,13-15H2,1H3;12-14,17-18,24H,2-11H2,1H3,(H,22,25);11-12,15-16,22H,4-10H2,1-3H3,(H,20,23);10-11,14-15,21H,2-9H2,1H3,(H,19,22)
InChIKeyZPLJYUMANZIKKL-UHFFFAOYSA-N
MW1430.99 g/mol
LogP21.24
Rot. Bonds22

About 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine

1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine (PubChem CID 162184271) has the molecular formula C84H119N17O4 and a molecular weight of 1430.99 g/mol. Its IUPAC name is 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine
PubChem CID162184271
Molecular FormulaC84H119N17O4
Molecular Weight1430.99 g/mol
Exact Mass1429.96
IUPAC Name1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine
SMILESCCC(CC)Nc1cc(-c2nc(C)no2)cnc1NC1CCCCC1.Cc1coc(-c2ccc(NC34CC5CC(CC(C5)C3)C4)c(NC3CCCCC3)c2)n1.Cc1coc(-c2cnc(NC3CCCCC3)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1
InChIInChI=1S/C26H35N3O.C21H30N4O.C19H29N5O.C18H25N5O/c1-17-16-30-25(27-17)21-7-8-23(24(12-21)28-22-5-3-2-4-6-22)29-26-13-18-9-19(14-26)11-20(10-18)15-26;1-15-14-26-21(23-15)16-12-19(24-17-8-4-2-5-9-17)20(22-13-16)25-18-10-6-3-7-11-18;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/h7-8,12,16,18-20,22,28-29H,2-6,9-11,13-15H2,1H3;12-14,17-18,24H,2-11H2,1H3,(H,22,25);11-12,15-16,22H,4-10H2,1-3H3,(H,20,23);10-11,14-15,21H,2-9H2,1H3,(H,19,22)
InChIKeyZPLJYUMANZIKKL-UHFFFAOYSA-N
XLogP21.24
TPSA264.81 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms105
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001430.99
LogP ≤ 521.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-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 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine (CID 162184271) is 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-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 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-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 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-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.Cc1coc(-c2ccc(NC34CC5CC(CC(C5)C3)C4)c(NC3CCCCC3)c2)n1.Cc1coc(-c2cnc(NC3CCCCC3)c(NC3CCCCC3)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1.
What is the InChIKey of 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?
The InChIKey is ZPLJYUMANZIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O.C21H30N4O.C19H29N5O.C18H25N5O/c1-17-16-30-25(27-17)21-7-8-23(24(12-21)28-22-5-3-2-4-6-22)29-26-13-18-9-19(14-26)11-20(10-18)15-26;1-15-14-26-21(23-15)16-12-19(24-17-8-4-2-5-9-17)20(22-13-16)25-18-10-6-3-7-11-18;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/h7-8,12,16,18-20,22,28-29H,2-6,9-11,13-15H2,1H3;12-14,17-18,24H,2-11H2,1H3,(H,22,25);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 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?
1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-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 21.24, 22 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-adamantyl)-2-N-cyclohexyl-4-(4-methyl-1,3-oxazol-2-yl)benzene-1,2-diamine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)pyridine-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 162184271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).