2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole

C36H24F6N6O8 — CID 157490006

IUPAC2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc([C@@H]2CC(Oc3ccc(-c4ncco4)nc3)=NO2)cc1.FC(F)(F)Oc1ccc([C@H]2CC(Oc3ccc(-c4ncco4)nc3)=NO2)cc1
InChIInChI=1S/2C18H12F3N3O4/c2*19-18(20,21)27-12-3-1-11(2-4-12)15-9-16(24-28-15)26-13-5-6-14(23-10-13)17-22-7-8-25-17/h2*1-8,10,15H,9H2/t2*15-/m10/s1
InChIKeyBXDSOCNMYNXYLP-ZWZQDMJTSA-N
MW782.61 g/mol
LogP8.98
Rot. Bonds8

About 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole

2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole (PubChem CID 157490006) has the molecular formula C36H24F6N6O8 and a molecular weight of 782.61 g/mol. Its IUPAC name is 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole
PubChem CID157490006
Molecular FormulaC36H24F6N6O8
Molecular Weight782.61 g/mol
Exact Mass782.16
IUPAC Name2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc([C@@H]2CC(Oc3ccc(-c4ncco4)nc3)=NO2)cc1.FC(F)(F)Oc1ccc([C@H]2CC(Oc3ccc(-c4ncco4)nc3)=NO2)cc1
InChIInChI=1S/2C18H12F3N3O4/c2*19-18(20,21)27-12-3-1-11(2-4-12)15-9-16(24-28-15)26-13-5-6-14(23-10-13)17-22-7-8-25-17/h2*1-8,10,15H,9H2/t2*15-/m10/s1
InChIKeyBXDSOCNMYNXYLP-ZWZQDMJTSA-N
XLogP8.98
TPSA157.94 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.61
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole (CID 157490006) is 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole is FC(F)(F)Oc1ccc([C@@H]2CC(Oc3ccc(-c4ncco4)nc3)=NO2)cc1.FC(F)(F)Oc1ccc([C@H]2CC(Oc3ccc(-c4ncco4)nc3)=NO2)cc1.
What is the InChIKey of 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole?
The InChIKey is BXDSOCNMYNXYLP-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C18H12F3N3O4/c2*19-18(20,21)27-12-3-1-11(2-4-12)15-9-16(24-28-15)26-13-5-6-14(23-10-13)17-22-7-8-25-17/h2*1-8,10,15H,9H2/t2*15-/m10/s1.
What are the key properties of 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole?
2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole has a molecular weight of 782.61 g/mol, XLogP of 8.98, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole;2-[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 157490006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).