[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate

C21H16FN3O5 — CID 46350373

IUPAC[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
SMILESCCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccccc4F)no3)cc12
InChIInChI=1S/C21H16FN3O5/c1-3-17(26)28-10-12-9-23-11(2)18-14(12)8-15(21(27)29-18)20-24-19(25-30-20)13-6-4-5-7-16(13)22/h4-9H,3,10H2,1-2H3
InChIKeyQZNHPVAONVYOBS-UHFFFAOYSA-N
MW409.37 g/mol
LogP3.81
Rot. Bonds5

About [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate

[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate (PubChem CID 46350373) has the molecular formula C21H16FN3O5 and a molecular weight of 409.37 g/mol. Its IUPAC name is [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate.

Molecular Properties

Compound Name[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
PubChem CID46350373
Molecular FormulaC21H16FN3O5
Molecular Weight409.37 g/mol
Exact Mass409.11
IUPAC Name[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
SMILESCCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccccc4F)no3)cc12
InChIInChI=1S/C21H16FN3O5/c1-3-17(26)28-10-12-9-23-11(2)18-14(12)8-15(21(27)29-18)20-24-19(25-30-20)13-6-4-5-7-16(13)22/h4-9H,3,10H2,1-2H3
InChIKeyQZNHPVAONVYOBS-UHFFFAOYSA-N
XLogP3.81
TPSA108.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate 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-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The IUPAC name of [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate (CID 46350373) is [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate.
What is the SMILES notation for [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The canonical SMILES for [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate is CCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccccc4F)no3)cc12.
What is the InChIKey of [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The InChIKey is QZNHPVAONVYOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O5/c1-3-17(26)28-10-12-9-23-11(2)18-14(12)8-15(21(27)29-18)20-24-19(25-30-20)13-6-4-5-7-16(13)22/h4-9H,3,10H2,1-2H3.
What are the key properties of [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate has a molecular weight of 409.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate is sourced from PubChem (CID 46350373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).