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

C8H5F3N2O2 — CID 10775162

IUPAC6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C(F)(F)F)c2c(=O)[nH]oc2n1
InChIInChI=1S/C8H5F3N2O2/c1-3-2-4(8(9,10)11)5-6(14)13-15-7(5)12-3/h2H,1H3,(H,13,14)
InChIKeyRPQLIZXAOKTFDP-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.84
Rot. Bonds

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

6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one (PubChem CID 10775162) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one
PubChem CID10775162
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C(F)(F)F)c2c(=O)[nH]oc2n1
InChIInChI=1S/C8H5F3N2O2/c1-3-2-4(8(9,10)11)5-6(14)13-15-7(5)12-3/h2H,1H3,(H,13,14)
InChIKeyRPQLIZXAOKTFDP-UHFFFAOYSA-N
XLogP1.84
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one (CID 10775162) is 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one is Cc1cc(C(F)(F)F)c2c(=O)[nH]oc2n1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one?
The InChIKey is RPQLIZXAOKTFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c1-3-2-4(8(9,10)11)5-6(14)13-15-7(5)12-3/h2H,1H3,(H,13,14).
What are the key properties of 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one?
6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one has a molecular weight of 218.13 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 10775162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).