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

C13H5Cl2F3N2O — CID 3743953

IUPAC3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2c(-c3ccc(Cl)cc3Cl)noc2c1
InChIInChI=1S/C13H5Cl2F3N2O/c14-7-1-2-8(9(15)4-7)11-12-10(21-20-11)3-6(5-19-12)13(16,17)18/h1-5H
InChIKeyJGHPMBWPEMGGNO-UHFFFAOYSA-N
MW333.10 g/mol
LogP5.22
Rot. Bonds1

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

3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 3743953) has the molecular formula C13H5Cl2F3N2O and a molecular weight of 333.10 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
PubChem CID3743953
Molecular FormulaC13H5Cl2F3N2O
Molecular Weight333.10 g/mol
Exact Mass331.97
IUPAC Name3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2c(-c3ccc(Cl)cc3Cl)noc2c1
InChIInChI=1S/C13H5Cl2F3N2O/c14-7-1-2-8(9(15)4-7)11-12-10(21-20-11)3-6(5-19-12)13(16,17)18/h1-5H
InChIKeyJGHPMBWPEMGGNO-UHFFFAOYSA-N
XLogP5.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.10
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

2-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
3-(4-Methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3751880
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
3-(4-Nitrophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3743946
3-(3-Pyridinyl)-6-(trifluoromethyl)isoxazolo[4,5-b]pyridine
CID 3746782
3-Methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
CID 134808016
5-(4-chlorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804955
5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809593
3-(2,6-Dichlorophenyl)-5-pyridin-2-yl-1,2-oxazole
CID 2726551
5-(4-chlorophenyl)-3-methyl-N-(pyrazin-2-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805648
5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134806659
5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134807236

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine (CID 3743953) is 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine is FC(F)(F)c1cnc2c(-c3ccc(Cl)cc3Cl)noc2c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is JGHPMBWPEMGGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F3N2O/c14-7-1-2-8(9(15)4-7)11-12-10(21-20-11)3-6(5-19-12)13(16,17)18/h1-5H.
What are the key properties of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine?
3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 333.10 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 3743953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).