3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine

C104H120F3N19O9 — CID 162025117

IUPAC3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine
SMILESCN(C)C(=O)c1cccc(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1CC(C)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.COc1ccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)cn1.COc1ccc(OC)c(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1
InChIInChI=1S/C30H35N5O2.C20H24N4O2.C19H23N3O3.C18H18F3N3O.C17H20N4O/c1-35-27(36)30(34-28(35)31,17-16-21-8-3-2-4-9-21)20-22-10-7-13-25(18-22)32-29(37)33-26-15-14-23-11-5-6-12-24(23)19-26;1-20(13-26-24(4)19(21)22-20)17-10-6-8-15(12-17)14-7-5-9-16(11-14)18(25)23(2)3;1-19(12-25-22(2)18(20)21-19)14-7-5-6-13(10-14)16-11-15(23-3)8-9-17(16)24-4;1-17(11-24(2)16(22)23-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)25-18(19,20)21;1-17(11-21(2)16(18)20-17)14-6-4-5-12(9-14)13-7-8-15(22-3)19-10-13/h2-6,8-9,11-12,14-15,19,22,25H,7,10,13,16-18,20H2,1H3,(H2,31,34)(H2,32,33,37);5-12H,13H2,1-4H3,(H2,21,22);5-11H,12H2,1-4H3,(H2,20,21);3-10H,11H2,1-2H3,(H2,22,23);4-10H,11H2,1-3H3,(H2,18,20)/t22-,25+,30+;;;;/m0..../s1
InChIKeyYVGQMAABQFPNLM-XCLMYUGHSA-N
MW1837.22 g/mol
LogP16.27
Rot. Bonds20

About 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine

3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine (PubChem CID 162025117) has the molecular formula C104H120F3N19O9 and a molecular weight of 1837.22 g/mol. Its IUPAC name is 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine
PubChem CID162025117
Molecular FormulaC104H120F3N19O9
Molecular Weight1837.22 g/mol
Exact Mass1835.95
IUPAC Name3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine
SMILESCN(C)C(=O)c1cccc(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1CC(C)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.COc1ccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)cn1.COc1ccc(OC)c(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1
InChIInChI=1S/C30H35N5O2.C20H24N4O2.C19H23N3O3.C18H18F3N3O.C17H20N4O/c1-35-27(36)30(34-28(35)31,17-16-21-8-3-2-4-9-21)20-22-10-7-13-25(18-22)32-29(37)33-26-15-14-23-11-5-6-12-24(23)19-26;1-20(13-26-24(4)19(21)22-20)17-10-6-8-15(12-17)14-7-5-9-16(11-14)18(25)23(2)3;1-19(12-25-22(2)18(20)21-19)14-7-5-6-13(10-14)16-11-15(23-3)8-9-17(16)24-4;1-17(11-24(2)16(22)23-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)25-18(19,20)21;1-17(11-21(2)16(18)20-17)14-6-4-5-12(9-14)13-7-8-15(22-3)19-10-13/h2-6,8-9,11-12,14-15,19,22,25H,7,10,13,16-18,20H2,1H3,(H2,31,34)(H2,32,33,37);5-12H,13H2,1-4H3,(H2,21,22);5-11H,12H2,1-4H3,(H2,20,21);3-10H,11H2,1-2H3,(H2,22,23);4-10H,11H2,1-3H3,(H2,18,20)/t22-,25+,30+;;;;/m0..../s1
InChIKeyYVGQMAABQFPNLM-XCLMYUGHSA-N
XLogP16.27
TPSA354.88 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001837.22
LogP ≤ 516.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine?
The IUPAC name of 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine (CID 162025117) is 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine.
What is the SMILES notation for 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine?
The canonical SMILES for 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine is CN(C)C(=O)c1cccc(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1CC(C)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.COc1ccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)cn1.COc1ccc(OC)c(-c2cccc(C3(C)CON(C)C(N)=N3)c2)c1.
What is the InChIKey of 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine?
The InChIKey is YVGQMAABQFPNLM-XCLMYUGHSA-N. The full InChI is InChI=1S/C30H35N5O2.C20H24N4O2.C19H23N3O3.C18H18F3N3O.C17H20N4O/c1-35-27(36)30(34-28(35)31,17-16-21-8-3-2-4-9-21)20-22-10-7-13-25(18-22)32-29(37)33-26-15-14-23-11-5-6-12-24(23)19-26;1-20(13-26-24(4)19(21)22-20)17-10-6-8-15(12-17)14-7-5-9-16(11-14)18(25)23(2)3;1-19(12-25-22(2)18(20)21-19)14-7-5-6-13(10-14)16-11-15(23-3)8-9-17(16)24-4;1-17(11-24(2)16(22)23-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)25-18(19,20)21;1-17(11-21(2)16(18)20-17)14-6-4-5-12(9-14)13-7-8-15(22-3)19-10-13/h2-6,8-9,11-12,14-15,19,22,25H,7,10,13,16-18,20H2,1H3,(H2,31,34)(H2,32,33,37);5-12H,13H2,1-4H3,(H2,21,22);5-11H,12H2,1-4H3,(H2,20,21);3-10H,11H2,1-2H3,(H2,22,23);4-10H,11H2,1-3H3,(H2,18,20)/t22-,25+,30+;;;;/m0..../s1.
What are the key properties of 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine?
3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine has a molecular weight of 1837.22 g/mol, XLogP of 16.27, 20 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine is sourced from PubChem (CID 162025117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).