6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

C13H6ClF3N2O — CID 82337728

IUPAC6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc(-c2nc3cc(Cl)cnc3o2)cc1
InChIInChI=1S/C13H6ClF3N2O/c14-9-5-10-12(18-6-9)20-11(19-10)7-1-3-8(4-2-7)13(15,16)17/h1-6H
InChIKeyXWUNDJQSBZPGJA-UHFFFAOYSA-N
MW298.65 g/mol
LogP4.56
Rot. Bonds1

About 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337728) has the molecular formula C13H6ClF3N2O and a molecular weight of 298.65 g/mol. Its IUPAC name is 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337728
Molecular FormulaC13H6ClF3N2O
Molecular Weight298.65 g/mol
Exact Mass298.01
IUPAC Name6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc(-c2nc3cc(Cl)cnc3o2)cc1
InChIInChI=1S/C13H6ClF3N2O/c14-9-5-10-12(18-6-9)20-11(19-10)7-1-3-8(4-2-7)13(15,16)17/h1-6H
InChIKeyXWUNDJQSBZPGJA-UHFFFAOYSA-N
XLogP4.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337689
6-chloro-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
CID 82337706
6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337691
2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 82337778
6-chloro-2-(4-methyl-3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337729
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66880533
2,6-bis[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 102140066
2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 155675192
2-(4-methylphenyl)-7-[2-[4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 170372832
2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carbaldehyde
CID 145125429

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 82337728) is 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is FC(F)(F)c1ccc(-c2nc3cc(Cl)cnc3o2)cc1.
What is the InChIKey of 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is XWUNDJQSBZPGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O/c14-9-5-10-12(18-6-9)20-11(19-10)7-1-3-8(4-2-7)13(15,16)17/h1-6H.
What are the key properties of 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 298.65 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).