2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline

C104H138N12O6 — CID 161083631

IUPAC2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline
SMILESCC(C)(C)OC(=O)c1ccc(CC2CCCCC2)c(Nc2ccccc2)c1.Cc1noc(-c2ccc(CC34CC5CC(CC(C5)C3)C4)c(NC3CCCCC3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(N)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NC3CCCCC3)c2)n1.Nc1cc(-c2ncco2)ccc1CC1CCCCC1
InChIInChI=1S/C26H35N3O.C24H31NO2.C22H31N3O.C16H21N3O.C16H20N2O/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;1-24(2,3)27-23(26)20-15-14-19(16-18-10-6-4-7-11-18)22(17-20)25-21-12-8-5-9-13-21;1-16-23-22(26-25-16)19-13-12-18(14-17-8-4-2-5-9-17)21(15-19)24-20-10-6-3-7-11-20;1-11-18-16(20-19-11)14-8-7-13(15(17)10-14)9-12-5-3-2-4-6-12;17-15-11-14(16-18-8-9-19-16)7-6-13(15)10-12-4-2-1-3-5-12/h7-8,12,18-20,23,28H,2-6,9-11,13-16H2,1H3;5,8-9,12-15,17-18,25H,4,6-7,10-11,16H2,1-3H3;12-13,15,17,20,24H,2-11,14H2,1H3;7-8,10,12H,2-6,9,17H2,1H3;6-9,11-12H,1-5,10,17H2
InChIKeyUGFMRUNACPBBMJ-UHFFFAOYSA-N
MW1652.33 g/mol
LogP26.77
Rot. Bonds21

About 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline

2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline (PubChem CID 161083631) has the molecular formula C104H138N12O6 and a molecular weight of 1652.33 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline
PubChem CID161083631
Molecular FormulaC104H138N12O6
Molecular Weight1652.33 g/mol
Exact Mass1651.09
IUPAC Name2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline
SMILESCC(C)(C)OC(=O)c1ccc(CC2CCCCC2)c(Nc2ccccc2)c1.Cc1noc(-c2ccc(CC34CC5CC(CC(C5)C3)C4)c(NC3CCCCC3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(N)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NC3CCCCC3)c2)n1.Nc1cc(-c2ncco2)ccc1CC1CCCCC1
InChIInChI=1S/C26H35N3O.C24H31NO2.C22H31N3O.C16H21N3O.C16H20N2O/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;1-24(2,3)27-23(26)20-15-14-19(16-18-10-6-4-7-11-18)22(17-20)25-21-12-8-5-9-13-21;1-16-23-22(26-25-16)19-13-12-18(14-17-8-4-2-5-9-17)21(15-19)24-20-10-6-3-7-11-20;1-11-18-16(20-19-11)14-8-7-13(15(17)10-14)9-12-5-3-2-4-6-12;17-15-11-14(16-18-8-9-19-16)7-6-13(15)10-12-4-2-1-3-5-12/h7-8,12,18-20,23,28H,2-6,9-11,13-16H2,1H3;5,8-9,12-15,17-18,25H,4,6-7,10-11,16H2,1-3H3;12-13,15,17,20,24H,2-11,14H2,1H3;7-8,10,12H,2-6,9,17H2,1H3;6-9,11-12H,1-5,10,17H2
InChIKeyUGFMRUNACPBBMJ-UHFFFAOYSA-N
XLogP26.77
TPSA257.22 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.33
LogP ≤ 526.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline with MolForge

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Launch Full Analysis

Related Compounds

US20250059174, Example 308-60
CID 175682826
3,3-Dimethyl-1-(oxetan-3-yl)-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)indol-2-one;1,3,3-trimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one
CID 118526089
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-[2-(oxan-4-yl)-1,3-oxazol-5-yl]aniline
CID 154682875
N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-[2-(oxan-4-yl)-1,3-oxazol-5-yl]aniline
CID 154682941
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]aniline
CID 154683559
3-(2-ethoxy-1,3-oxazol-5-yl)-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]aniline
CID 154683647
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(2-propyl-1,3-oxazol-5-yl)aniline
CID 154683677
N-[2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(2-ethoxy-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide
CID 154683777
N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(oxan-4-yl)-1,3-oxazol-5-yl]phenyl]cyclohexanecarboxamide
CID 154683785
N-[1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]ethyl]-3-(2-cyclopropyl-1,3-oxazol-5-yl)aniline
CID 155060688
3,5-Dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-1,3,4,5-tetraphenylpyrrole;3-methyl-1,2,4,5-tetraphenylpyrrole;bis(1,2,3,4,5-pentamethylpyrrole);1,2,4-trimethyl-3,5-diphenylpyrrole;1,3,4-trimethyl-2,5-diphenylpyrrole;bis(2,3,5-trimethyl-1,4-diphenylpyrrole)
CID 158411587
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline?
The IUPAC name of 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline (CID 161083631) is 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline is CC(C)(C)OC(=O)c1ccc(CC2CCCCC2)c(Nc2ccccc2)c1.Cc1noc(-c2ccc(CC34CC5CC(CC(C5)C3)C4)c(NC3CCCCC3)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(N)c2)n1.Cc1noc(-c2ccc(CC3CCCCC3)c(NC3CCCCC3)c2)n1.Nc1cc(-c2ncco2)ccc1CC1CCCCC1.
What is the InChIKey of 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline?
The InChIKey is UGFMRUNACPBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O.C24H31NO2.C22H31N3O.C16H21N3O.C16H20N2O/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;1-24(2,3)27-23(26)20-15-14-19(16-18-10-6-4-7-11-18)22(17-20)25-21-12-8-5-9-13-21;1-16-23-22(26-25-16)19-13-12-18(14-17-8-4-2-5-9-17)21(15-19)24-20-10-6-3-7-11-20;1-11-18-16(20-19-11)14-8-7-13(15(17)10-14)9-12-5-3-2-4-6-12;17-15-11-14(16-18-8-9-19-16)7-6-13(15)10-12-4-2-1-3-5-12/h7-8,12,18-20,23,28H,2-6,9-11,13-16H2,1H3;5,8-9,12-15,17-18,25H,4,6-7,10-11,16H2,1-3H3;12-13,15,17,20,24H,2-11,14H2,1H3;7-8,10,12H,2-6,9,17H2,1H3;6-9,11-12H,1-5,10,17H2.
What are the key properties of 2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline?
2-(1-adamantylmethyl)-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline has a molecular weight of 1652.33 g/mol, XLogP of 26.77, 21 rotatable bonds, 5 hydrogen bond donors, and 18 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;tert-butyl 3-anilino-4-(cyclohexylmethyl)benzoate;N-cyclohexyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;2-(cyclohexylmethyl)-5-(1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 161083631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).