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

C16H11FN4O2 — CID 58076866

IUPAC3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile
SMILESN#Cc1cc(F)cc(N2CCc3oc(-c4ncco4)nc3C2)c1
InChIInChI=1S/C16H11FN4O2/c17-11-5-10(8-18)6-12(7-11)21-3-1-14-13(9-21)20-16(23-14)15-19-2-4-22-15/h2,4-7H,1,3,9H2
InChIKeyMHNMWJYNLVBYAI-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.90
Rot. Bonds2

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

3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile (PubChem CID 58076866) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile
PubChem CID58076866
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile
SMILESN#Cc1cc(F)cc(N2CCc3oc(-c4ncco4)nc3C2)c1
InChIInChI=1S/C16H11FN4O2/c17-11-5-10(8-18)6-12(7-11)21-3-1-14-13(9-21)20-16(23-14)15-19-2-4-22-15/h2,4-7H,1,3,9H2
InChIKeyMHNMWJYNLVBYAI-UHFFFAOYSA-N
XLogP2.90
TPSA79.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile (CID 58076866) is 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile is N#Cc1cc(F)cc(N2CCc3oc(-c4ncco4)nc3C2)c1.
What is the InChIKey of 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile?
The InChIKey is MHNMWJYNLVBYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-11-5-10(8-18)6-12(7-11)21-3-1-14-13(9-21)20-16(23-14)15-19-2-4-22-15/h2,4-7H,1,3,9H2.
What are the key properties of 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile?
3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile has a molecular weight of 310.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 58076866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).