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

C14H8ClF3N2O — CID 29091098

IUPAC6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H8ClF3N2O/c1-7-12-10(14(16,17)18)6-11(19-13(12)21-20-7)8-2-4-9(15)5-3-8/h2-6H,1H3
InChIKeyCHESUGSKBZPQFM-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.87
Rot. Bonds1

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

6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091098) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091098
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H8ClF3N2O/c1-7-12-10(14(16,17)18)6-11(19-13(12)21-20-7)8-2-4-9(15)5-3-8/h2-6H,1H3
InChIKeyCHESUGSKBZPQFM-UHFFFAOYSA-N
XLogP4.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091098) is 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12.
What is the InChIKey of 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is CHESUGSKBZPQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c1-7-12-10(14(16,17)18)6-11(19-13(12)21-20-7)8-2-4-9(15)5-3-8/h2-6H,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 312.68 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).