5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole

C25H16F3N3O2S — CID 2742370

IUPAC5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C25H16F3N3O2S/c1-15-22(23(31-33-15)16-5-3-2-4-6-16)20-14-34-24(30-20)17-7-10-19(11-8-17)32-21-12-9-18(13-29-21)25(26,27)28/h2-14H,1H3
InChIKeyHZOQZZLDZRIJBY-UHFFFAOYSA-N
MW479.48 g/mol
LogP7.65
Rot. Bonds5

About 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole

5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 2742370) has the molecular formula C25H16F3N3O2S and a molecular weight of 479.48 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID2742370
Molecular FormulaC25H16F3N3O2S
Molecular Weight479.48 g/mol
Exact Mass479.09
IUPAC Name5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C25H16F3N3O2S/c1-15-22(23(31-33-15)16-5-3-2-4-6-16)20-14-34-24(30-20)17-7-10-19(11-8-17)32-21-12-9-18(13-29-21)25(26,27)28/h2-14H,1H3
InChIKeyHZOQZZLDZRIJBY-UHFFFAOYSA-N
XLogP7.65
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.48
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole (CID 2742370) is 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1csc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.
What is the InChIKey of 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is HZOQZZLDZRIJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O2S/c1-15-22(23(31-33-15)16-5-3-2-4-6-16)20-14-34-24(30-20)17-7-10-19(11-8-17)32-21-12-9-18(13-29-21)25(26,27)28/h2-14H,1H3.
What are the key properties of 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 479.48 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 2742370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).