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

C19H11F3N2OS — CID 2745504

IUPAC3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccccc4)no3)cs2)cc1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)14-8-6-13(7-9-14)18-23-16(11-26-18)17-10-15(24-25-17)12-4-2-1-3-5-12/h1-11H
InChIKeyNTGYWOGEGGQQKD-UHFFFAOYSA-N
MW372.37 g/mol
LogP6.15
Rot. Bonds3

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

3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 2745504) has the molecular formula C19H11F3N2OS and a molecular weight of 372.37 g/mol. Its IUPAC name is 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID2745504
Molecular FormulaC19H11F3N2OS
Molecular Weight372.37 g/mol
Exact Mass372.05
IUPAC Name3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccccc4)no3)cs2)cc1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)14-8-6-13(7-9-14)18-23-16(11-26-18)17-10-15(24-25-17)12-4-2-1-3-5-12/h1-11H
InChIKeyNTGYWOGEGGQQKD-UHFFFAOYSA-N
XLogP6.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole (CID 2745504) is 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole is FC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccccc4)no3)cs2)cc1.
What is the InChIKey of 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is NTGYWOGEGGQQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2OS/c20-19(21,22)14-8-6-13(7-9-14)18-23-16(11-26-18)17-10-15(24-25-17)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 372.37 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 2745504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).