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

C14H10F3N3O2 — CID 66879419

IUPAC2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCOCc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3O2/c1-21-7-8-5-18-3-2-10(8)12-20-11-4-9(14(15,16)17)6-19-13(11)22-12/h2-6H,7H2,1H3
InChIKeyKLJSQYSSPZZGPW-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.45
Rot. Bonds3

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

2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 66879419) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID66879419
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCOCc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3O2/c1-21-7-8-5-18-3-2-10(8)12-20-11-4-9(14(15,16)17)6-19-13(11)22-12/h2-6H,7H2,1H3
InChIKeyKLJSQYSSPZZGPW-UHFFFAOYSA-N
XLogP3.45
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 66879419) is 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is COCc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1.
What is the InChIKey of 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is KLJSQYSSPZZGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c1-21-7-8-5-18-3-2-10(8)12-20-11-4-9(14(15,16)17)6-19-13(11)22-12/h2-6H,7H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 309.25 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 66879419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).