[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol

C25H25F4N3O7 — CID 11307441

About [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol

[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol (PubChem CID 11307441) has the molecular formula C25H25F4N3O7 and a molecular weight of 555.48 g/mol. Its IUPAC name is [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol.

Molecular Properties

• Compound Name: [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol
• PubChem CID: 11307441
• Molecular Formula: C25H25F4N3O7
• Molecular Weight: 555.48 g/mol
• Exact Mass: 555.16
• IUPAC Name: [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol
• SMILES: Cc1nc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CN)OC4=O)cc3F)cc2)oc1C.OC(O)C(F)(F)F
• InChI: InChI=1S/C23H22FN3O5.C2H3F3O2/c1-13-14(2)31-22(26-13)16-5-3-15(4-6-16)19-8-7-17(9-20(19)24)27-11-18(32-23(27)29)12-30-21(28)10-25;3-2(4,5)1(6)7/h3-9,18H,10-12,25H2,1-2H3;1,6-7H/t18-;/m1./s1
• InChIKey: KADWAEIDVNILQV-GMUIIQOCSA-N
• XLogP: 3.45
• TPSA: 148.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.48
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol?

The IUPAC name of [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol (CID 11307441) is [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol.

What is the SMILES notation for [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol?

The canonical SMILES for [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol is Cc1nc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CN)OC4=O)cc3F)cc2)oc1C.OC(O)C(F)(F)F.

What is the InChIKey of [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol?

The InChIKey is KADWAEIDVNILQV-GMUIIQOCSA-N. The full InChI is InChI=1S/C23H22FN3O5.C2H3F3O2/c1-13-14(2)31-22(26-13)16-5-3-15(4-6-16)19-8-7-17(9-20(19)24)27-11-18(32-23(27)29)12-30-21(28)10-25;3-2(4,5)1(6)7/h3-9,18H,10-12,25H2,1-2H3;1,6-7H/t18-;/m1./s1.

What are the key properties of [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol?

[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol has a molecular weight of 555.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol is sourced from PubChem (CID 11307441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).