4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

C127H138FN25O8 — CID 157408452

IUPAC4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
SMILESCN1CC(C)(c2cccc(-c3cccnc3)c2)N=C1N.CN1OCC(C)(c2cccc(-c3ccc(C#N)cc3)c2)N=C1N.COc1ccc(NC(=O)N2CCC(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)CC2)cc1.COc1ccncc1-c1cccc(C2(C)CON(C)C(N)=N2)c1.Cc1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C29H30FN5O2.C29H31N5O3.C18H18N4O.C18H21N3.C17H20N4O2.C16H18N4/c30-25-13-7-8-22(18-25)19-32-28(37)34-16-14-21(15-17-34)20-35-26(36)29(33-27(35)31,23-9-3-1-4-10-23)24-11-5-2-6-12-24;1-37-25-14-12-24(13-15-25)31-28(36)33-18-16-21(17-19-33)20-34-26(35)29(32-27(34)30,22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-18(12-23-22(2)17(20)21-18)16-5-3-4-15(10-16)14-8-6-13(11-19)7-9-14;1-13-6-4-7-14(10-13)15-8-5-9-16(11-15)18(2)12-21(3)17(19)20-18;1-17(11-23-21(2)16(18)20-17)13-6-4-5-12(9-13)14-10-19-8-7-15(14)22-3;1-16(11-20(2)15(17)19-16)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h1-13,18,21H,14-17,19-20H2,(H2,31,33)(H,32,37);2-15,21H,16-20H2,1H3,(H2,30,32)(H,31,36);3-10H,12H2,1-2H3,(H2,20,21);4-11H,12H2,1-3H3,(H2,19,20);4-10H,11H2,1-3H3,(H2,18,20);3-10H,11H2,1-2H3,(H2,17,19)
InChIKeyBNZQYITZRFRTGB-UHFFFAOYSA-N
MW2161.67 g/mol
LogP18.05
Rot. Bonds21

About 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (PubChem CID 157408452) has the molecular formula C127H138FN25O8 and a molecular weight of 2161.67 g/mol. Its IUPAC name is 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.

Molecular Properties

Compound Name4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
PubChem CID157408452
Molecular FormulaC127H138FN25O8
Molecular Weight2161.67 g/mol
Exact Mass2160.11
IUPAC Name4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
SMILESCN1CC(C)(c2cccc(-c3cccnc3)c2)N=C1N.CN1OCC(C)(c2cccc(-c3ccc(C#N)cc3)c2)N=C1N.COc1ccc(NC(=O)N2CCC(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)CC2)cc1.COc1ccncc1-c1cccc(C2(C)CON(C)C(N)=N2)c1.Cc1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C29H30FN5O2.C29H31N5O3.C18H18N4O.C18H21N3.C17H20N4O2.C16H18N4/c30-25-13-7-8-22(18-25)19-32-28(37)34-16-14-21(15-17-34)20-35-26(36)29(33-27(35)31,23-9-3-1-4-10-23)24-11-5-2-6-12-24;1-37-25-14-12-24(13-15-25)31-28(36)33-18-16-21(17-19-33)20-34-26(35)29(32-27(34)30,22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-18(12-23-22(2)17(20)21-18)16-5-3-4-15(10-16)14-8-6-13(11-19)7-9-14;1-13-6-4-7-14(10-13)15-8-5-9-16(11-15)18(2)12-21(3)17(19)20-18;1-17(11-23-21(2)16(18)20-17)13-6-4-5-12(9-13)14-10-19-8-7-15(14)22-3;1-16(11-20(2)15(17)19-16)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h1-13,18,21H,14-17,19-20H2,(H2,31,33)(H,32,37);2-15,21H,16-20H2,1H3,(H2,30,32)(H,31,36);3-10H,12H2,1-2H3,(H2,20,21);4-11H,12H2,1-3H3,(H2,19,20);4-10H,11H2,1-3H3,(H2,18,20);3-10H,11H2,1-2H3,(H2,17,19)
InChIKeyBNZQYITZRFRTGB-UHFFFAOYSA-N
XLogP18.05
TPSA435.03 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002161.67
LogP ≤ 518.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The IUPAC name of 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (CID 157408452) is 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.
What is the SMILES notation for 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The canonical SMILES for 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is CN1CC(C)(c2cccc(-c3cccnc3)c2)N=C1N.CN1OCC(C)(c2cccc(-c3ccc(C#N)cc3)c2)N=C1N.COc1ccc(NC(=O)N2CCC(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)CC2)cc1.COc1ccncc1-c1cccc(C2(C)CON(C)C(N)=N2)c1.Cc1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The InChIKey is BNZQYITZRFRTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2.C29H31N5O3.C18H18N4O.C18H21N3.C17H20N4O2.C16H18N4/c30-25-13-7-8-22(18-25)19-32-28(37)34-16-14-21(15-17-34)20-35-26(36)29(33-27(35)31,23-9-3-1-4-10-23)24-11-5-2-6-12-24;1-37-25-14-12-24(13-15-25)31-28(36)33-18-16-21(17-19-33)20-34-26(35)29(32-27(34)30,22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-18(12-23-22(2)17(20)21-18)16-5-3-4-15(10-16)14-8-6-13(11-19)7-9-14;1-13-6-4-7-14(10-13)15-8-5-9-16(11-15)18(2)12-21(3)17(19)20-18;1-17(11-23-21(2)16(18)20-17)13-6-4-5-12(9-13)14-10-19-8-7-15(14)22-3;1-16(11-20(2)15(17)19-16)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h1-13,18,21H,14-17,19-20H2,(H2,31,33)(H,32,37);2-15,21H,16-20H2,1H3,(H2,30,32)(H,31,36);3-10H,12H2,1-2H3,(H2,20,21);4-11H,12H2,1-3H3,(H2,19,20);4-10H,11H2,1-3H3,(H2,18,20);3-10H,11H2,1-2H3,(H2,17,19).
What are the key properties of 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine has a molecular weight of 2161.67 g/mol, XLogP of 18.05, 21 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]benzonitrile;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;3,5-dimethyl-5-[3-(3-methylphenyl)phenyl]-4H-imidazol-2-amine;3,5-dimethyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine;5-[3-(4-methoxy-3-pyridinyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 157408452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).