bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole

C68H77F8N3O4P3S+ — CID 157408684

About bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole

bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 157408684) has the molecular formula C68H77F8N3O4P3S+ and a molecular weight of 1277.35 g/mol. Its IUPAC name is bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
• PubChem CID: 157408684
• Molecular Formula: C68H77F8N3O4P3S+
• Molecular Weight: 1277.35 g/mol
• Exact Mass: 1276.47
• IUPAC Name: bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
• SMILES: C.C.C[P+](=O)SC(C)(C)C.Cc1ccc(P(c2ccc(C)c(F)c2)c2ccc(C(F)(F)F)cc2C2=N[C@@H](C)CO2)cc1F.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2C2=N[C@@H](C)CO2)cc1.Cc1ccccc1C1=N[C@@H](C)CO1
• InChI: InChI=1S/C25H21F5NOP.C25H23F3NOP.C11H13NO.C5H12OPS.2CH4/c1-14-4-7-18(11-21(14)26)33(19-8-5-15(2)22(27)12-19)23-9-6-17(25(28,29)30)10-20(23)24-31-16(3)13-32-24;1-16-4-9-20(10-5-16)31(21-11-6-17(2)7-12-21)23-13-8-19(25(26,27)28)14-22(23)24-29-18(3)15-30-24;1-8-5-3-4-6-10(8)11-12-9(2)7-13-11;1-5(2,3)8-7(4)6;;/h4-12,16H,13H2,1-3H3;4-14,18H,15H2,1-3H3;3-6,9H,7H2,1-2H3;1-4H3;2*1H4/q;;;+1;;/t16-;18-;9-;;;/m000.../s1
• InChIKey: UFTBWLWPSCOXNL-LXMIYRHXSA-N
• XLogP: 17.09
• TPSA: 81.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.35
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?

The IUPAC name of bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 157408684) is bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?

The canonical SMILES for bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole is C.C.C[P+](=O)SC(C)(C)C.Cc1ccc(P(c2ccc(C)c(F)c2)c2ccc(C(F)(F)F)cc2C2=N[C@@H](C)CO2)cc1F.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2C2=N[C@@H](C)CO2)cc1.Cc1ccccc1C1=N[C@@H](C)CO1.

What is the InChIKey of bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?

The InChIKey is UFTBWLWPSCOXNL-LXMIYRHXSA-N. The full InChI is InChI=1S/C25H21F5NOP.C25H23F3NOP.C11H13NO.C5H12OPS.2CH4/c1-14-4-7-18(11-21(14)26)33(19-8-5-15(2)22(27)12-19)23-9-6-17(25(28,29)30)10-20(23)24-31-16(3)13-32-24;1-16-4-9-20(10-5-16)31(21-11-6-17(2)7-12-21)23-13-8-19(25(26,27)28)14-22(23)24-29-18(3)15-30-24;1-8-5-3-4-6-10(8)11-12-9(2)7-13-11;1-5(2,3)8-7(4)6;;/h4-12,16H,13H2,1-3H3;4-14,18H,15H2,1-3H3;3-6,9H,7H2,1-2H3;1-4H3;2*1H4/q;;;+1;;/t16-;18-;9-;;;/m000.../s1.

What are the key properties of bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?

bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 1277.35 g/mol, XLogP of 17.09, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-fluoro-4-methylphenyl)-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]phosphane;tert-butylsulfanyl-methyl-oxophosphanium;methane;[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis(4-methylphenyl)phosphane;(4S)-4-methyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 157408684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).