4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole

C25H18F3N5O2S — CID 69424870

IUPAC4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(C=Cc2nc(COc3ccc(-c4nc(Cn5ccnn5)co4)cc3)cs2)cc1
InChIInChI=1S/C25H18F3N5O2S/c26-25(27,28)19-6-1-17(2-7-19)3-10-23-30-21(16-36-23)15-34-22-8-4-18(5-9-22)24-31-20(14-35-24)13-33-12-11-29-32-33/h1-12,14,16H,13,15H2
InChIKeyGXKLHDHEKDKIQO-UHFFFAOYSA-N
MW509.51 g/mol
LogP6.21
Rot. Bonds8

About 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole

4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole (PubChem CID 69424870) has the molecular formula C25H18F3N5O2S and a molecular weight of 509.51 g/mol. Its IUPAC name is 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole
PubChem CID69424870
Molecular FormulaC25H18F3N5O2S
Molecular Weight509.51 g/mol
Exact Mass509.11
IUPAC Name4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(C=Cc2nc(COc3ccc(-c4nc(Cn5ccnn5)co4)cc3)cs2)cc1
InChIInChI=1S/C25H18F3N5O2S/c26-25(27,28)19-6-1-17(2-7-19)3-10-23-30-21(16-36-23)15-34-22-8-4-18(5-9-22)24-31-20(14-35-24)13-33-12-11-29-32-33/h1-12,14,16H,13,15H2
InChIKeyGXKLHDHEKDKIQO-UHFFFAOYSA-N
XLogP6.21
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-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-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole?
The IUPAC name of 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole (CID 69424870) is 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole.
What is the SMILES notation for 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole?
The canonical SMILES for 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole is FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(-c4nc(Cn5ccnn5)co4)cc3)cs2)cc1.
What is the InChIKey of 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole?
The InChIKey is GXKLHDHEKDKIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2S/c26-25(27,28)19-6-1-17(2-7-19)3-10-23-30-21(16-36-23)15-34-22-8-4-18(5-9-22)24-31-20(14-35-24)13-33-12-11-29-32-33/h1-12,14,16H,13,15H2.
What are the key properties of 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole?
4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole has a molecular weight of 509.51 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole is sourced from PubChem (CID 69424870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).