(4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone

C21H17FN2O2 — CID 66609131

IUPAC(4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2nc(C=Cc3ccccc3)oc2C1
InChIInChI=1S/C21H17FN2O2/c22-17-9-7-16(8-10-17)21(25)24-13-12-18-19(14-24)26-20(23-18)11-6-15-4-2-1-3-5-15/h1-11H,12-14H2
InChIKeyDSYFSEPNOSDGJO-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.18
Rot. Bonds3

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

(4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 66609131) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID66609131
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2nc(C=Cc3ccccc3)oc2C1
InChIInChI=1S/C21H17FN2O2/c22-17-9-7-16(8-10-17)21(25)24-13-12-18-19(14-24)26-20(23-18)11-6-15-4-2-1-3-5-15/h1-11H,12-14H2
InChIKeyDSYFSEPNOSDGJO-UHFFFAOYSA-N
XLogP4.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone 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 (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (CID 66609131) is (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is O=C(c1ccc(F)cc1)N1CCc2nc(C=Cc3ccccc3)oc2C1.
What is the InChIKey of (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is DSYFSEPNOSDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-17-9-7-16(8-10-17)21(25)24-13-12-18-19(14-24)26-20(23-18)11-6-15-4-2-1-3-5-15/h1-11H,12-14H2.
What are the key properties of (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
(4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 348.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(2-phenylethenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 66609131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).