7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

C13H7FN4O — CID 82376128

IUPAC7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)nc2ocnc2c1N
InChIInChI=1S/C13H7FN4O/c14-9-4-2-1-3-7(9)11-8(5-15)10(16)12-13(18-11)19-6-17-12/h1-4,6H,(H2,16,18)
InChIKeyYZZCCZNFHKKQMR-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.48
Rot. Bonds1

About 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 82376128) has the molecular formula C13H7FN4O and a molecular weight of 254.22 g/mol. Its IUPAC name is 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID82376128
Molecular FormulaC13H7FN4O
Molecular Weight254.22 g/mol
Exact Mass254.06
IUPAC Name7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)nc2ocnc2c1N
InChIInChI=1S/C13H7FN4O/c14-9-4-2-1-3-7(9)11-8(5-15)10(16)12-13(18-11)19-6-17-12/h1-4,6H,(H2,16,18)
InChIKeyYZZCCZNFHKKQMR-UHFFFAOYSA-N
XLogP2.48
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (CID 82376128) is 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is N#Cc1c(-c2ccccc2F)nc2ocnc2c1N.
What is the InChIKey of 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is YZZCCZNFHKKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O/c14-9-4-2-1-3-7(9)11-8(5-15)10(16)12-13(18-11)19-6-17-12/h1-4,6H,(H2,16,18).
What are the key properties of 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 254.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 82376128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).