3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one

C10H9F3N2O2 — CID 59284118

IUPAC3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one
SMILESCc1c(C(F)(F)F)n(C)c2onc(C)c2c1=O
InChIInChI=1S/C10H9F3N2O2/c1-4-7(16)6-5(2)14-17-9(6)15(3)8(4)10(11,12)13/h1-3H3
InChIKeyTXGNJBGZUQGGMT-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.16
Rot. Bonds

About 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one

3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one (PubChem CID 59284118) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one
PubChem CID59284118
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one
SMILESCc1c(C(F)(F)F)n(C)c2onc(C)c2c1=O
InChIInChI=1S/C10H9F3N2O2/c1-4-7(16)6-5(2)14-17-9(6)15(3)8(4)10(11,12)13/h1-3H3
InChIKeyTXGNJBGZUQGGMT-UHFFFAOYSA-N
XLogP2.16
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one?
The IUPAC name of 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one (CID 59284118) is 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one is Cc1c(C(F)(F)F)n(C)c2onc(C)c2c1=O.
What is the InChIKey of 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one?
The InChIKey is TXGNJBGZUQGGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-4-7(16)6-5(2)14-17-9(6)15(3)8(4)10(11,12)13/h1-3H3.
What are the key properties of 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one?
3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one has a molecular weight of 246.19 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 59284118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).