2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole

C13H6ClF3N2O2 — CID 155235450

IUPAC2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc2ncc(-c3ncco3)c(Cl)c2c1
InChIInChI=1S/C13H6ClF3N2O2/c14-11-8-5-7(21-13(15,16)17)1-2-10(8)19-6-9(11)12-18-3-4-20-12/h1-6H
InChIKeyCOPFEQUXQQNFJI-UHFFFAOYSA-N
MW314.65 g/mol
LogP4.44
Rot. Bonds2

About 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole

2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole (PubChem CID 155235450) has the molecular formula C13H6ClF3N2O2 and a molecular weight of 314.65 g/mol. Its IUPAC name is 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole
PubChem CID155235450
Molecular FormulaC13H6ClF3N2O2
Molecular Weight314.65 g/mol
Exact Mass314.01
IUPAC Name2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc2ncc(-c3ncco3)c(Cl)c2c1
InChIInChI=1S/C13H6ClF3N2O2/c14-11-8-5-7(21-13(15,16)17)1-2-10(8)19-6-9(11)12-18-3-4-20-12/h1-6H
InChIKeyCOPFEQUXQQNFJI-UHFFFAOYSA-N
XLogP4.44
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.65
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole?
The IUPAC name of 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole (CID 155235450) is 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole is FC(F)(F)Oc1ccc2ncc(-c3ncco3)c(Cl)c2c1.
What is the InChIKey of 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole?
The InChIKey is COPFEQUXQQNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O2/c14-11-8-5-7(21-13(15,16)17)1-2-10(8)19-6-9(11)12-18-3-4-20-12/h1-6H.
What are the key properties of 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole?
2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole has a molecular weight of 314.65 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole is sourced from PubChem (CID 155235450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).