N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine

C85H109N11O3 — CID 157131308

IUPACN-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine
SMILESCC(C)(C)c1ccc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)cc1.COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1.Cc1cccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.c1ccc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)cc1
InChIInChI=1S/C24H33N3.C21H26N2O2.C20H25N3O.C20H25N3/c1-23(2,3)20-6-4-19(5-7-20)22-25-14-21(27-22)15-26-24-11-16-8-17(12-24)10-18(9-16)13-24;1-24-19-4-2-17(3-5-19)20-23-18(13-25-20)12-22-21-9-14-6-15(10-21)8-16(7-14)11-21;1-13-3-2-4-17(5-13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-2-4-17(5-3-1)19-21-12-18(23-19)13-22-20-9-14-6-15(10-20)8-16(7-14)11-20/h4-7,16-18,26H,8-15H2,1-3H3;2-5,13-16,22H,6-12H2,1H3;2-5,14-16,21H,6-12H2,1H3;1-5,14-16,22H,6-13H2
InChIKeyAJCLYRXATXOCHA-UHFFFAOYSA-N
MW1332.88 g/mol
LogP16.70
Rot. Bonds17

About N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine

N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine (PubChem CID 157131308) has the molecular formula C85H109N11O3 and a molecular weight of 1332.88 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine
PubChem CID157131308
Molecular FormulaC85H109N11O3
Molecular Weight1332.88 g/mol
Exact Mass1331.87
IUPAC NameN-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine
SMILESCC(C)(C)c1ccc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)cc1.COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1.Cc1cccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.c1ccc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)cc1
InChIInChI=1S/C24H33N3.C21H26N2O2.C20H25N3O.C20H25N3/c1-23(2,3)20-6-4-19(5-7-20)22-25-14-21(27-22)15-26-24-11-16-8-17(12-24)10-18(9-16)13-24;1-24-19-4-2-17(3-5-19)20-23-18(13-25-20)12-22-21-9-14-6-15(10-21)8-16(7-14)11-21;1-13-3-2-4-17(5-13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-2-4-17(5-3-1)19-21-12-18(23-19)13-22-20-9-14-6-15(10-20)8-16(7-14)11-20/h4-7,16-18,26H,8-15H2,1-3H3;2-5,13-16,22H,6-12H2,1H3;2-5,14-16,21H,6-12H2,1H3;1-5,14-16,22H,6-13H2
InChIKeyAJCLYRXATXOCHA-UHFFFAOYSA-N
XLogP16.70
TPSA171.74 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.88
LogP ≤ 516.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine (CID 157131308) is N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine is CC(C)(C)c1ccc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)cc1.COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1.Cc1cccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.c1ccc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)cc1.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine?
The InChIKey is AJCLYRXATXOCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3.C21H26N2O2.C20H25N3O.C20H25N3/c1-23(2,3)20-6-4-19(5-7-20)22-25-14-21(27-22)15-26-24-11-16-8-17(12-24)10-18(9-16)13-24;1-24-19-4-2-17(3-5-19)20-23-18(13-25-20)12-22-21-9-14-6-15(10-21)8-16(7-14)11-21;1-13-3-2-4-17(5-13)19-22-18(23-24-19)12-21-20-9-14-6-15(10-20)8-16(7-14)11-20;1-2-4-17(5-3-1)19-21-12-18(23-19)13-22-20-9-14-6-15(10-20)8-16(7-14)11-20/h4-7,16-18,26H,8-15H2,1-3H3;2-5,13-16,22H,6-12H2,1H3;2-5,14-16,21H,6-12H2,1H3;1-5,14-16,22H,6-13H2.
What are the key properties of N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine?
N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine has a molecular weight of 1332.88 g/mol, XLogP of 16.70, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)-4H-imidazol-5-yl]methyl]adamantan-1-amine;N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]adamantan-1-amine;N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(2-phenyl-4H-imidazol-5-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 157131308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).