ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine

C10H11F3N2O — CID 177048084

IUPACethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCC.Cc1nc2cnc(C(F)(F)F)cc2o1
InChIInChI=1S/C8H5F3N2O.C2H6/c1-4-13-5-3-12-7(8(9,10)11)2-6(5)14-4;1-2/h2-3H,1H3;1-2H3
InChIKeyURJIFOIFICHONA-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.58
Rot. Bonds

About ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine

ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 177048084) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine
PubChem CID177048084
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Nameethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCC.Cc1nc2cnc(C(F)(F)F)cc2o1
InChIInChI=1S/C8H5F3N2O.C2H6/c1-4-13-5-3-12-7(8(9,10)11)2-6(5)14-4;1-2/h2-3H,1H3;1-2H3
InChIKeyURJIFOIFICHONA-UHFFFAOYSA-N
XLogP3.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine (CID 177048084) is ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine is CC.Cc1nc2cnc(C(F)(F)F)cc2o1.
What is the InChIKey of ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is URJIFOIFICHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O.C2H6/c1-4-13-5-3-12-7(8(9,10)11)2-6(5)14-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine?
ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 232.20 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(trifluoromethyl)-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 177048084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).