N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate

C98H127N15O6 — CID 158051649

IUPACN-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(CC2CCCCC2)c(N)c1.Cc1noc(-c2ccc(CC3CCCC3)c(NC(C)C)c2)n1.Cc1noc(-c2ccc(CC3CCCC3)c(NC3CCCC3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NCc3ccccc3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NCc3ccncc3)c2)n1
InChIInChI=1S/C23H27N3O.C22H26N4O.C20H27N3O.C18H25N3O.C15H22N2O2/c1-17-25-23(27-26-17)21-13-12-20(14-18-8-4-2-5-9-18)22(15-21)24-16-19-10-6-3-7-11-19;1-16-25-22(27-26-16)20-8-7-19(13-17-5-3-2-4-6-17)21(14-20)24-15-18-9-11-23-12-10-18;1-14-21-20(24-23-14)17-11-10-16(12-15-6-2-3-7-15)19(13-17)22-18-8-4-5-9-18;1-12(2)19-17-11-16(18-20-13(3)21-22-18)9-8-15(17)10-14-6-4-5-7-14;1-2-19-15(18)12-9-13(16)14(17-10-12)8-11-6-4-3-5-7-11/h3,6-7,10-13,15,18,24H,2,4-5,8-9,14,16H2,1H3;7-12,14,17,24H,2-6,13,15H2,1H3;10-11,13,15,18,22H,2-9,12H2,1H3;8-9,11-12,14,19H,4-7,10H2,1-3H3;9-11H,2-8,16H2,1H3
InChIKeyFJOCIVSJEXVETP-UHFFFAOYSA-N
MW1611.19 g/mol
LogP23.65
Rot. Bonds26

About N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate

N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate (PubChem CID 158051649) has the molecular formula C98H127N15O6 and a molecular weight of 1611.19 g/mol. Its IUPAC name is N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate.

Molecular Properties

Compound NameN-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate
PubChem CID158051649
Molecular FormulaC98H127N15O6
Molecular Weight1611.19 g/mol
Exact Mass1610.01
IUPAC NameN-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(CC2CCCCC2)c(N)c1.Cc1noc(-c2ccc(CC3CCCC3)c(NC(C)C)c2)n1.Cc1noc(-c2ccc(CC3CCCC3)c(NC3CCCC3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NCc3ccccc3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NCc3ccncc3)c2)n1
InChIInChI=1S/C23H27N3O.C22H26N4O.C20H27N3O.C18H25N3O.C15H22N2O2/c1-17-25-23(27-26-17)21-13-12-20(14-18-8-4-2-5-9-18)22(15-21)24-16-19-10-6-3-7-11-19;1-16-25-22(27-26-16)20-8-7-19(13-17-5-3-2-4-6-17)21(14-20)24-15-18-9-11-23-12-10-18;1-14-21-20(24-23-14)17-11-10-16(12-15-6-2-3-7-15)19(13-17)22-18-8-4-5-9-18;1-12(2)19-17-11-16(18-20-13(3)21-22-18)9-8-15(17)10-14-6-4-5-7-14;1-2-19-15(18)12-9-13(16)14(17-10-12)8-11-6-4-3-5-7-11/h3,6-7,10-13,15,18,24H,2,4-5,8-9,14,16H2,1H3;7-12,14,17,24H,2-6,13,15H2,1H3;10-11,13,15,18,22H,2-9,12H2,1H3;8-9,11-12,14,19H,4-7,10H2,1-3H3;9-11H,2-8,16H2,1H3
InChIKeyFJOCIVSJEXVETP-UHFFFAOYSA-N
XLogP23.65
TPSA281.90 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001611.19
LogP ≤ 523.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate with MolForge

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Related Compounds

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
N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane
CID 159054069
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
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 159987053
N-cyclohexyl-2-(cyclohexylmethyl)-5-methoxypyridin-3-amine;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-yl)pyridin-3-amine;2-(cyclohexylmethyl)-N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylaniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-3-amine
CID 159993852
2-(1-adamantylmethyl)-N-cyclohexyl-5-(4-methyl-1,3-oxazol-2-yl)aniline;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 160010504
N-cyclohexyl-2-(cyclohexylmethyl)-5-methoxypyridin-3-amine;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-yl)pyridin-3-amine;2-(cyclohexylmethyl)-N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylaniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline
CID 161068813

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate?
The IUPAC name of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate (CID 158051649) is N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate.
What is the SMILES notation for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate?
The canonical SMILES for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(CC2CCCCC2)c(N)c1.Cc1noc(-c2ccc(CC3CCCC3)c(NC(C)C)c2)n1.Cc1noc(-c2ccc(CC3CCCC3)c(NC3CCCC3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NCc3ccccc3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NCc3ccncc3)c2)n1.
What is the InChIKey of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate?
The InChIKey is FJOCIVSJEXVETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.C22H26N4O.C20H27N3O.C18H25N3O.C15H22N2O2/c1-17-25-23(27-26-17)21-13-12-20(14-18-8-4-2-5-9-18)22(15-21)24-16-19-10-6-3-7-11-19;1-16-25-22(27-26-16)20-8-7-19(13-17-5-3-2-4-6-17)21(14-20)24-15-18-9-11-23-12-10-18;1-14-21-20(24-23-14)17-11-10-16(12-15-6-2-3-7-15)19(13-17)22-18-8-4-5-9-18;1-12(2)19-17-11-16(18-20-13(3)21-22-18)9-8-15(17)10-14-6-4-5-7-14;1-2-19-15(18)12-9-13(16)14(17-10-12)8-11-6-4-3-5-7-11/h3,6-7,10-13,15,18,24H,2,4-5,8-9,14,16H2,1H3;7-12,14,17,24H,2-6,13,15H2,1H3;10-11,13,15,18,22H,2-9,12H2,1H3;8-9,11-12,14,19H,4-7,10H2,1-3H3;9-11H,2-8,16H2,1H3.
What are the key properties of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate?
N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate has a molecular weight of 1611.19 g/mol, XLogP of 23.65, 26 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-ylmethyl)aniline;N-cyclopentyl-2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclopentylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylaniline;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate is sourced from PubChem (CID 158051649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).