3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile

C15H8FN3O — CID 11402852

IUPAC3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2nc(-c3ccccn3)co2)c1
InChIInChI=1S/C15H8FN3O/c16-12-6-10(8-17)5-11(7-12)15-19-14(9-20-15)13-3-1-2-4-18-13/h1-7,9H
InChIKeyPURMTHHDJDASBS-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.41
Rot. Bonds2

About 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile

3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile (PubChem CID 11402852) has the molecular formula C15H8FN3O and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile
PubChem CID11402852
Molecular FormulaC15H8FN3O
Molecular Weight265.25 g/mol
Exact Mass265.07
IUPAC Name3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2nc(-c3ccccn3)co2)c1
InChIInChI=1S/C15H8FN3O/c16-12-6-10(8-17)5-11(7-12)15-19-14(9-20-15)13-3-1-2-4-18-13/h1-7,9H
InChIKeyPURMTHHDJDASBS-UHFFFAOYSA-N
XLogP3.41
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile (CID 11402852) is 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile is N#Cc1cc(F)cc(-c2nc(-c3ccccn3)co2)c1.
What is the InChIKey of 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile?
The InChIKey is PURMTHHDJDASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O/c16-12-6-10(8-17)5-11(7-12)15-19-14(9-20-15)13-3-1-2-4-18-13/h1-7,9H.
What are the key properties of 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile?
3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile has a molecular weight of 265.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile is sourced from PubChem (CID 11402852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).