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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Related Compounds

3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
3,5-dimethyl-4-[1-(1-phenylethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 90448976
4-[1-[(2-Fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628407
US10435405, Example 35
CID 134328076
5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805649
5-(4-fluorophenyl)-3-methyl-N-(1-methylpiperidin-4-yl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805967
3-methyl-N-(pyridin-3-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134806292
3-methyl-7-(1H-pyrazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
CID 134806635
N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 134806935
3-methyl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809024
N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine
CID 134809303
7-(4-Methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[4,5-b]pyridine
CID 89478975

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).