(4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C32H19F17N2O2 — CID 102139549

IUPAC(4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C2=N[C@@H](c3ccccc3)CO2)cc(C2=N[C@@H](c3ccccc3)CO2)c1
InChIInChI=1S/C32H19F17N2O2/c33-25(34,26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49)20-12-18(23-50-21(14-52-23)16-7-3-1-4-8-16)11-19(13-20)24-51-22(15-53-24)17-9-5-2-6-10-17/h1-13,21-22H,14-15H2/t21-,22-/m1/s1
InChIKeyGQUUHMXJEHNBQV-FGZHOGPDSA-N
MW786.48 g/mol
LogP10.19
Rot. Bonds11

About (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 102139549) has the molecular formula C32H19F17N2O2 and a molecular weight of 786.48 g/mol. Its IUPAC name is (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID102139549
Molecular FormulaC32H19F17N2O2
Molecular Weight786.48 g/mol
Exact Mass786.12
IUPAC Name(4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C2=N[C@@H](c3ccccc3)CO2)cc(C2=N[C@@H](c3ccccc3)CO2)c1
InChIInChI=1S/C32H19F17N2O2/c33-25(34,26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49)20-12-18(23-50-21(14-52-23)16-7-3-1-4-8-16)11-19(13-20)24-51-22(15-53-24)17-9-5-2-6-10-17/h1-13,21-22H,14-15H2/t21-,22-/m1/s1
InChIKeyGQUUHMXJEHNBQV-FGZHOGPDSA-N
XLogP10.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.48
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 102139549) is (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C2=N[C@@H](c3ccccc3)CO2)cc(C2=N[C@@H](c3ccccc3)CO2)c1.
What is the InChIKey of (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GQUUHMXJEHNBQV-FGZHOGPDSA-N. The full InChI is InChI=1S/C32H19F17N2O2/c33-25(34,26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49)20-12-18(23-50-21(14-52-23)16-7-3-1-4-8-16)11-19(13-20)24-51-22(15-53-24)17-9-5-2-6-10-17/h1-13,21-22H,14-15H2/t21-,22-/m1/s1.
What are the key properties of (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 786.48 g/mol, XLogP of 10.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102139549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).