1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C20H14FN3O2 — CID 68577336

IUPAC1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1ccccc1Oc1ccc(-c3cccnc3)c(F)c12
InChIInChI=1S/C20H14FN3O2/c21-18-13(12-4-3-9-23-10-12)7-8-16-17(18)20(11-25-19(22)24-20)14-5-1-2-6-15(14)26-16/h1-10H,11H2,(H2,22,24)
InChIKeyZMBISMPZBYPEFK-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.58
Rot. Bonds1

About 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 68577336) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID68577336
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1ccccc1Oc1ccc(-c3cccnc3)c(F)c12
InChIInChI=1S/C20H14FN3O2/c21-18-13(12-4-3-9-23-10-12)7-8-16-17(18)20(11-25-19(22)24-20)14-5-1-2-6-15(14)26-16/h1-10H,11H2,(H2,22,24)
InChIKeyZMBISMPZBYPEFK-UHFFFAOYSA-N
XLogP3.58
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine 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 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 68577336) is 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is NC1=NC2(CO1)c1ccccc1Oc1ccc(-c3cccnc3)c(F)c12.
What is the InChIKey of 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is ZMBISMPZBYPEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c21-18-13(12-4-3-9-23-10-12)7-8-16-17(18)20(11-25-19(22)24-20)14-5-1-2-6-15(14)26-16/h1-10H,11H2,(H2,22,24).
What are the key properties of 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 347.35 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 68577336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).