4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole

C42H24F4N2O3S — CID 126495071

IUPAC4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(/C=C/c3ccco3)oc2-c2cc(F)cc(-c3cc(F)cc(-c4nc(/C=C/c5ccsc5)oc4-c4cccc(F)c4)c3)c2)c1
InChIInChI=1S/C42H24F4N2O3S/c43-32-6-1-4-26(18-32)39-42(51-38(47-39)12-10-36-8-3-14-49-36)31-17-29(21-35(46)23-31)28-16-30(22-34(45)20-28)40-41(27-5-2-7-33(44)19-27)50-37(48-40)11-9-25-13-15-52-24-25/h1-24H/b11-9+,12-10+
InChIKeyPGHJCZMIXSEQSM-WGDLNXRISA-N
MW712.72 g/mol
LogP12.55
Rot. Bonds9

About 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole

4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole (PubChem CID 126495071) has the molecular formula C42H24F4N2O3S and a molecular weight of 712.72 g/mol. Its IUPAC name is 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole
PubChem CID126495071
Molecular FormulaC42H24F4N2O3S
Molecular Weight712.72 g/mol
Exact Mass712.14
IUPAC Name4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(/C=C/c3ccco3)oc2-c2cc(F)cc(-c3cc(F)cc(-c4nc(/C=C/c5ccsc5)oc4-c4cccc(F)c4)c3)c2)c1
InChIInChI=1S/C42H24F4N2O3S/c43-32-6-1-4-26(18-32)39-42(51-38(47-39)12-10-36-8-3-14-49-36)31-17-29(21-35(46)23-31)28-16-30(22-34(45)20-28)40-41(27-5-2-7-33(44)19-27)50-37(48-40)11-9-25-13-15-52-24-25/h1-24H/b11-9+,12-10+
InChIKeyPGHJCZMIXSEQSM-WGDLNXRISA-N
XLogP12.55
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.72
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole?
The IUPAC name of 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole (CID 126495071) is 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole.
What is the SMILES notation for 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole?
The canonical SMILES for 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole is Fc1cccc(-c2nc(/C=C/c3ccco3)oc2-c2cc(F)cc(-c3cc(F)cc(-c4nc(/C=C/c5ccsc5)oc4-c4cccc(F)c4)c3)c2)c1.
What is the InChIKey of 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole?
The InChIKey is PGHJCZMIXSEQSM-WGDLNXRISA-N. The full InChI is InChI=1S/C42H24F4N2O3S/c43-32-6-1-4-26(18-32)39-42(51-38(47-39)12-10-36-8-3-14-49-36)31-17-29(21-35(46)23-31)28-16-30(22-34(45)20-28)40-41(27-5-2-7-33(44)19-27)50-37(48-40)11-9-25-13-15-52-24-25/h1-24H/b11-9+,12-10+.
What are the key properties of 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole?
4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole has a molecular weight of 712.72 g/mol, XLogP of 12.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[3-fluoro-5-[4-(3-fluorophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole is sourced from PubChem (CID 126495071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).