3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile

C18H13FN4O — CID 46932384

IUPAC3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile
SMILESN#Cc1cc(F)cc(N2CCc3nc(-c4ccccn4)oc3C2)c1
InChIInChI=1S/C18H13FN4O/c19-13-7-12(10-20)8-14(9-13)23-6-4-15-17(11-23)24-18(22-15)16-3-1-2-5-21-16/h1-3,5,7-9H,4,6,11H2
InChIKeyFZOHCTHIDYYEKU-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.31
Rot. Bonds2

About 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile

3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile (PubChem CID 46932384) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile
PubChem CID46932384
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile
SMILESN#Cc1cc(F)cc(N2CCc3nc(-c4ccccn4)oc3C2)c1
InChIInChI=1S/C18H13FN4O/c19-13-7-12(10-20)8-14(9-13)23-6-4-15-17(11-23)24-18(22-15)16-3-1-2-5-21-16/h1-3,5,7-9H,4,6,11H2
InChIKeyFZOHCTHIDYYEKU-UHFFFAOYSA-N
XLogP3.31
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile (CID 46932384) is 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile is N#Cc1cc(F)cc(N2CCc3nc(-c4ccccn4)oc3C2)c1.
What is the InChIKey of 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile?
The InChIKey is FZOHCTHIDYYEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-13-7-12(10-20)8-14(9-13)23-6-4-15-17(11-23)24-18(22-15)16-3-1-2-5-21-16/h1-3,5,7-9H,4,6,11H2.
What are the key properties of 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile?
3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile has a molecular weight of 320.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 46932384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).