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

C19H11F3N2O — CID 134952082

IUPAC2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2cnc(-c3ccc4ccccc4n3)o2)cc1
InChIInChI=1S/C19H11F3N2O/c20-19(21,22)14-8-5-13(6-9-14)17-11-23-18(25-17)16-10-7-12-3-1-2-4-15(12)24-16/h1-11H
InChIKeyJFTOUOVIRSRMET-UHFFFAOYSA-N
MW340.30 g/mol
LogP5.58
Rot. Bonds2

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

2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 134952082) has the molecular formula C19H11F3N2O and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID134952082
Molecular FormulaC19H11F3N2O
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2cnc(-c3ccc4ccccc4n3)o2)cc1
InChIInChI=1S/C19H11F3N2O/c20-19(21,22)14-8-5-13(6-9-14)17-11-23-18(25-17)16-10-7-12-3-1-2-4-15(12)24-16/h1-11H
InChIKeyJFTOUOVIRSRMET-UHFFFAOYSA-N
XLogP5.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.30
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 134952082) is 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccc(-c2cnc(-c3ccc4ccccc4n3)o2)cc1.
What is the InChIKey of 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is JFTOUOVIRSRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O/c20-19(21,22)14-8-5-13(6-9-14)17-11-23-18(25-17)16-10-7-12-3-1-2-4-15(12)24-16/h1-11H.
What are the key properties of 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 340.30 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 134952082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).