bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine

C129H108FN23O6 — CID 157460301

About bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine

bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine (PubChem CID 157460301) has the molecular formula C129H108FN23O6 and a molecular weight of 2095.44 g/mol. Its IUPAC name is bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine.

Molecular Properties

• Compound Name: bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine
• PubChem CID: 157460301
• Molecular Formula: C129H108FN23O6
• Molecular Weight: 2095.44 g/mol
• Exact Mass: 2093.88
• IUPAC Name: bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine
• SMILES: Cc1ccc(Nc2cc(-c3c(-c4ccccc4)noc3C)ccn2)cc1.Cc1ccc(Nc2nccc(-c3c(-c4ccccc4)noc3C)n2)c(C)c1.Cc1ccc(Nc2nccc(-c3c(-c4ccccc4)noc3C)n2)c(C)c1.Cc1onc(-c2ccccc2)c1-c1ccnc(Nc2ccccc2)c1.Cc1onc(-c2ccccc2F)c1-c1ccnc(Nc2ccccc2)n1.[C-]#[N+]c1ccc(C)c(Nc2nccc(-c3c(-c4ccccc4)noc3C)n2)c1
• InChI: InChI=1S/C22H17N5O.2C22H20N4O.C22H19N3O.C21H17N3O.C20H15FN4O/c1-14-9-10-17(23-3)13-19(14)26-22-24-12-11-18(25-22)20-15(2)28-27-21(20)16-7-5-4-6-8-16;2*1-14-9-10-18(15(2)13-14)24-22-23-12-11-19(25-22)20-16(3)27-26-21(20)17-7-5-4-6-8-17;1-15-8-10-19(11-9-15)24-20-14-18(12-13-23-20)21-16(2)26-25-22(21)17-6-4-3-5-7-17;1-15-20(21(24-25-15)16-8-4-2-5-9-16)17-12-13-22-19(14-17)23-18-10-6-3-7-11-18;1-13-18(19(25-26-13)15-9-5-6-10-16(15)21)17-11-12-22-20(24-17)23-14-7-3-2-4-8-14/h4-13H,1-2H3,(H,24,25,26);2*4-13H,1-3H3,(H,23,24,25);3-14H,1-2H3,(H,23,24);2-14H,1H3,(H,22,23);2-12H,1H3,(H,22,23,24)
• InChIKey: BTVNIWGRTPVJOE-UHFFFAOYSA-N
• XLogP: 32.85
• TPSA: 361.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2095.44
LogP ≤ 5	32.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine?

The IUPAC name of bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine (CID 157460301) is bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine.

What is the SMILES notation for bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine?

The canonical SMILES for bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine is Cc1ccc(Nc2cc(-c3c(-c4ccccc4)noc3C)ccn2)cc1.Cc1ccc(Nc2nccc(-c3c(-c4ccccc4)noc3C)n2)c(C)c1.Cc1ccc(Nc2nccc(-c3c(-c4ccccc4)noc3C)n2)c(C)c1.Cc1onc(-c2ccccc2)c1-c1ccnc(Nc2ccccc2)c1.Cc1onc(-c2ccccc2F)c1-c1ccnc(Nc2ccccc2)n1.[C-]#[N+]c1ccc(C)c(Nc2nccc(-c3c(-c4ccccc4)noc3C)n2)c1.

What is the InChIKey of bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine?

The InChIKey is BTVNIWGRTPVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O.2C22H20N4O.C22H19N3O.C21H17N3O.C20H15FN4O/c1-14-9-10-17(23-3)13-19(14)26-22-24-12-11-18(25-22)20-15(2)28-27-21(20)16-7-5-4-6-8-16;2*1-14-9-10-18(15(2)13-14)24-22-23-12-11-19(25-22)20-16(3)27-26-21(20)17-7-5-4-6-8-17;1-15-8-10-19(11-9-15)24-20-14-18(12-13-23-20)21-16(2)26-25-22(21)17-6-4-3-5-7-17;1-15-20(21(24-25-15)16-8-4-2-5-9-16)17-12-13-22-19(14-17)23-18-10-6-3-7-11-18;1-13-18(19(25-26-13)15-9-5-6-10-16(15)21)17-11-12-22-20(24-17)23-14-7-3-2-4-8-14/h4-13H,1-2H3,(H,24,25,26);2*4-13H,1-3H3,(H,23,24,25);3-14H,1-2H3,(H,23,24);2-14H,1H3,(H,22,23);2-12H,1H3,(H,22,23,24).

What are the key properties of bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine?

bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine has a molecular weight of 2095.44 g/mol, XLogP of 32.85, 24 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(2,4-dimethylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine);4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine;N-(5-isocyano-2-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridin-2-amine;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyridin-2-amine is sourced from PubChem (CID 157460301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).