5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane

C89H74F9N11O9 — CID 158151369

IUPAC5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane
SMILESC.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3cnccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C30H24F3N3O3.2C29H23F3N4O3.CH4/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)39-29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)39-28(2,3)26(38)36(23)27-33-14-5-15-34-27;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)39-28(2,3)27(38)36(23)24-16-33-13-14-34-24;/h4-17H,1-3H3,(H,35,37);2*4-16H,1-3H3,(H,35,37);1H4
InChIKeyFVDOCCJSBQAAPD-UHFFFAOYSA-N
MW1612.62 g/mol
LogP20.92
Rot. Bonds12

About 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane

5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane (PubChem CID 158151369) has the molecular formula C89H74F9N11O9 and a molecular weight of 1612.62 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane.

Molecular Properties

Compound Name5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane
PubChem CID158151369
Molecular FormulaC89H74F9N11O9
Molecular Weight1612.62 g/mol
Exact Mass1611.55
IUPAC Name5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane
SMILESC.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3cnccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C30H24F3N3O3.2C29H23F3N4O3.CH4/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)39-29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)39-28(2,3)26(38)36(23)27-33-14-5-15-34-27;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)39-28(2,3)27(38)36(23)24-16-33-13-14-34-24;/h4-17H,1-3H3,(H,35,37);2*4-16H,1-3H3,(H,35,37);1H4
InChIKeyFVDOCCJSBQAAPD-UHFFFAOYSA-N
XLogP20.92
TPSA240.37 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001612.62
LogP ≤ 520.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US8653087, III-539
CID 68036370
US8653087, III-540
CID 68039566
4-methyl-N-[2-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-3-[2-(3-morpholin-4-ylpropylamino)quinazolin-6-yl]benzamide
CID 58829891
3-[[5-fluoro-4-[(2-methylidene-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]pyrimidin-2-yl]amino]-4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 68342364
N-[(3-tert-butylphenyl)methyl]-3-[[6-[2-(dimethylamino)ethyl-methylamino]-1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methylbenzamide
CID 90936133
3-[[6-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 90971367
3-[[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]amino]-4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 126514102
N-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dimethyl-5-[[6-[methyl(oxan-2-ylmethyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]amino]benzamide
CID 129146811
5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146306725
5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146306770
5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146306794
5-(2,2-dimethyl-4-pyrimidin-2-yl-3H-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146323874

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane?
The IUPAC name of 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane (CID 158151369) is 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane.
What is the SMILES notation for 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane?
The canonical SMILES for 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane is C.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3cnccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane?
The InChIKey is FVDOCCJSBQAAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N3O3.2C29H23F3N4O3.CH4/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)39-29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)39-28(2,3)26(38)36(23)27-33-14-5-15-34-27;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)39-28(2,3)27(38)36(23)24-16-33-13-14-34-24;/h4-17H,1-3H3,(H,35,37);2*4-16H,1-3H3,(H,35,37);1H4.
What are the key properties of 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane?
5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane has a molecular weight of 1612.62 g/mol, XLogP of 20.92, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane is sourced from PubChem (CID 158151369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).