2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole

C33H16F12N4O2 — CID 11479644

IUPAC2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1oc(-c2ccc(C(c3ccc(-c4nc(-c5ccncc5)c(C(F)(F)F)o4)cc3)(C(F)(F)F)C(F)(F)F)cc2)nc1-c1ccncc1
InChIInChI=1S/C33H16F12N4O2/c34-30(35,36)25-23(17-9-13-46-14-10-17)48-27(50-25)19-1-5-21(6-2-19)29(32(40,41)42,33(43,44)45)22-7-3-20(4-8-22)28-49-24(18-11-15-47-16-12-18)26(51-28)31(37,38)39/h1-16H
InChIKeyZSKGNFLQPSMEBD-UHFFFAOYSA-N
MW728.49 g/mol
LogP10.57
Rot. Bonds6

About 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 11479644) has the molecular formula C33H16F12N4O2 and a molecular weight of 728.49 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID11479644
Molecular FormulaC33H16F12N4O2
Molecular Weight728.49 g/mol
Exact Mass728.11
IUPAC Name2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1oc(-c2ccc(C(c3ccc(-c4nc(-c5ccncc5)c(C(F)(F)F)o4)cc3)(C(F)(F)F)C(F)(F)F)cc2)nc1-c1ccncc1
InChIInChI=1S/C33H16F12N4O2/c34-30(35,36)25-23(17-9-13-46-14-10-17)48-27(50-25)19-1-5-21(6-2-19)29(32(40,41)42,33(43,44)45)22-7-3-20(4-8-22)28-49-24(18-11-15-47-16-12-18)26(51-28)31(37,38)39/h1-16H
InChIKeyZSKGNFLQPSMEBD-UHFFFAOYSA-N
XLogP10.57
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.49
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-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

Related Compounds

CID 16736226
CID 16736226
CID 16737951
CID 16737951
CID 24963031
CID 24963031
CID 25014794
CID 25014794
CID 272358
CID 272358
CID 10296059
CID 10296059
CID 44399530
CID 44399530
CID 230513
CID 230513
CID 44263421
CID 44263421
CID 44263423
CID 44263423
CID 56839384
CID 56839384
CID 56839386
CID 56839386

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole (CID 11479644) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1oc(-c2ccc(C(c3ccc(-c4nc(-c5ccncc5)c(C(F)(F)F)o4)cc3)(C(F)(F)F)C(F)(F)F)cc2)nc1-c1ccncc1.
What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is ZSKGNFLQPSMEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H16F12N4O2/c34-30(35,36)25-23(17-9-13-46-14-10-17)48-27(50-25)19-1-5-21(6-2-19)29(32(40,41)42,33(43,44)45)22-7-3-20(4-8-22)28-49-24(18-11-15-47-16-12-18)26(51-28)31(37,38)39/h1-16H.
What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole?
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 728.49 g/mol, XLogP of 10.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]propan-2-yl]phenyl]-4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 11479644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).