3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile

C19H14FN5O — CID 134397968

IUPAC3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile
SMILESN#Cc1cccc(-c2cnc3oc(C4(F)CCCN(C#N)C4)nc3c2)c1
InChIInChI=1S/C19H14FN5O/c20-19(5-2-6-25(11-19)12-22)18-24-16-8-15(10-23-17(16)26-18)14-4-1-3-13(7-14)9-21/h1,3-4,7-8,10H,2,5-6,11H2
InChIKeyZDBVUTDCCAWUJF-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.50
Rot. Bonds2

About 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile

3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile (PubChem CID 134397968) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile.

Molecular Properties

Compound Name3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile
PubChem CID134397968
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile
SMILESN#Cc1cccc(-c2cnc3oc(C4(F)CCCN(C#N)C4)nc3c2)c1
InChIInChI=1S/C19H14FN5O/c20-19(5-2-6-25(11-19)12-22)18-24-16-8-15(10-23-17(16)26-18)14-4-1-3-13(7-14)9-21/h1,3-4,7-8,10H,2,5-6,11H2
InChIKeyZDBVUTDCCAWUJF-UHFFFAOYSA-N
XLogP3.50
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile?
The IUPAC name of 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile (CID 134397968) is 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile.
What is the SMILES notation for 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile?
The canonical SMILES for 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile is N#Cc1cccc(-c2cnc3oc(C4(F)CCCN(C#N)C4)nc3c2)c1.
What is the InChIKey of 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile?
The InChIKey is ZDBVUTDCCAWUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-19(5-2-6-25(11-19)12-22)18-24-16-8-15(10-23-17(16)26-18)14-4-1-3-13(7-14)9-21/h1,3-4,7-8,10H,2,5-6,11H2.
What are the key properties of 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile?
3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile has a molecular weight of 347.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-cyanophenyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]-3-fluoropiperidine-1-carbonitrile is sourced from PubChem (CID 134397968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).