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

C16H11FN4O — CID 134809626

IUPAC5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1noc2c(-c3cn[nH]c3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H11FN4O/c1-9-15-16(22-21-9)13(11-7-18-19-8-11)6-14(20-15)10-2-4-12(17)5-3-10/h2-8H,1H3,(H,18,19)
InChIKeyGMLRYWKAKVWBQQ-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.73
Rot. Bonds2

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

5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 134809626) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine
PubChem CID134809626
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1noc2c(-c3cn[nH]c3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H11FN4O/c1-9-15-16(22-21-9)13(11-7-18-19-8-11)6-14(20-15)10-2-4-12(17)5-3-10/h2-8H,1H3,(H,18,19)
InChIKeyGMLRYWKAKVWBQQ-UHFFFAOYSA-N
XLogP3.73
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine (CID 134809626) is 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine is Cc1noc2c(-c3cn[nH]c3)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is GMLRYWKAKVWBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c1-9-15-16(22-21-9)13(11-7-18-19-8-11)6-14(20-15)10-2-4-12(17)5-3-10/h2-8H,1H3,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine?
5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 294.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134809626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).