1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C18H18N2O3 — CID 68577523

IUPAC1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCCCOc1cccc2c1C1(COC(N)=N1)c1ccccc1O2
InChIInChI=1S/C18H18N2O3/c1-2-10-21-14-8-5-9-15-16(14)18(11-22-17(19)20-18)12-6-3-4-7-13(12)23-15/h3-9H,2,10-11H2,1H3,(H2,19,20)
InChIKeyDEASCNIWZHWSFY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.17
Rot. Bonds3

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

1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 68577523) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID68577523
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCCCOc1cccc2c1C1(COC(N)=N1)c1ccccc1O2
InChIInChI=1S/C18H18N2O3/c1-2-10-21-14-8-5-9-15-16(14)18(11-22-17(19)20-18)12-6-3-4-7-13(12)23-15/h3-9H,2,10-11H2,1H3,(H2,19,20)
InChIKeyDEASCNIWZHWSFY-UHFFFAOYSA-N
XLogP3.17
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-propoxyspiro[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'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 68577523) is 1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is CCCOc1cccc2c1C1(COC(N)=N1)c1ccccc1O2.
What is the InChIKey of 1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is DEASCNIWZHWSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-10-21-14-8-5-9-15-16(14)18(11-22-17(19)20-18)12-6-3-4-7-13(12)23-15/h3-9H,2,10-11H2,1H3,(H2,19,20).
What are the key properties of 1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 310.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 68577523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).