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

C18H12FN3O — CID 71544372

IUPAC3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1ccncc1-c1ccnc2c(-c3ccc(F)cc3)noc12
InChIInChI=1S/C18H12FN3O/c1-11-6-8-20-10-15(11)14-7-9-21-17-16(22-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3
InChIKeyGLTYDYPJPYPUJE-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.40
Rot. Bonds2

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

3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 71544372) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
PubChem CID71544372
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1ccncc1-c1ccnc2c(-c3ccc(F)cc3)noc12
InChIInChI=1S/C18H12FN3O/c1-11-6-8-20-10-15(11)14-7-9-21-17-16(22-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3
InChIKeyGLTYDYPJPYPUJE-UHFFFAOYSA-N
XLogP4.40
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine (CID 71544372) is 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine is Cc1ccncc1-c1ccnc2c(-c3ccc(F)cc3)noc12.
What is the InChIKey of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is GLTYDYPJPYPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c1-11-6-8-20-10-15(11)14-7-9-21-17-16(22-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3.
What are the key properties of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine?
3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 305.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 71544372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).