(4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C25H25N3O3 — CID 58466301

IUPAC(4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccccn3)ccc1O2
InChIInChI=1S/C25H25N3O3/c1-24(2,3)14-29-17-8-10-22-19(13-17)25(15-30-23(26)28-25)18-12-16(7-9-21(18)31-22)20-6-4-5-11-27-20/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1
InChIKeyGIYVJINEXDOFJS-VWLOTQADSA-N
MW415.49 g/mol
LogP4.87
Rot. Bonds3

About (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

(4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 58466301) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name(4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID58466301
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name(4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccccn3)ccc1O2
InChIInChI=1S/C25H25N3O3/c1-24(2,3)14-29-17-8-10-22-19(13-17)25(15-30-23(26)28-25)18-12-16(7-9-21(18)31-22)20-6-4-5-11-27-20/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1
InChIKeyGIYVJINEXDOFJS-VWLOTQADSA-N
XLogP4.87
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 58466301) is (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccccn3)ccc1O2.
What is the InChIKey of (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is GIYVJINEXDOFJS-VWLOTQADSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-24(2,3)14-29-17-8-10-22-19(13-17)25(15-30-23(26)28-25)18-12-16(7-9-21(18)31-22)20-6-4-5-11-27-20/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1.
What are the key properties of (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
(4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 415.49 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 58466301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).