5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine

C19H14FN3O — CID 134811282

IUPAC5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1cc(-c2cc(-c3ccc(F)cc3)nc3c(C)noc23)ccn1
InChIInChI=1S/C19H14FN3O/c1-11-9-14(7-8-21-11)16-10-17(13-3-5-15(20)6-4-13)22-18-12(2)23-24-19(16)18/h3-10H,1-2H3
InChIKeyVQFFDBVHUDVGOZ-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.71
Rot. Bonds2

About 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine

5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 134811282) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
PubChem CID134811282
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1cc(-c2cc(-c3ccc(F)cc3)nc3c(C)noc23)ccn1
InChIInChI=1S/C19H14FN3O/c1-11-9-14(7-8-21-11)16-10-17(13-3-5-15(20)6-4-13)22-18-12(2)23-24-19(16)18/h3-10H,1-2H3
InChIKeyVQFFDBVHUDVGOZ-UHFFFAOYSA-N
XLogP4.71
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine (CID 134811282) is 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine is Cc1cc(-c2cc(-c3ccc(F)cc3)nc3c(C)noc23)ccn1.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is VQFFDBVHUDVGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-11-9-14(7-8-21-11)16-10-17(13-3-5-15(20)6-4-13)22-18-12(2)23-24-19(16)18/h3-10H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine?
5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 319.34 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134811282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).