2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C21H16FN3O3 — CID 67248938

IUPAC2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCOc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2
InChIInChI=1S/C21H16FN3O3/c1-26-13-5-7-18-16(10-13)21(11-27-20(23)25-21)15-9-12(4-6-17(15)28-18)14-3-2-8-24-19(14)22/h2-10H,11H2,1H3,(H2,23,25)
InChIKeyOBYZGFIQLJUGCH-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.59
Rot. Bonds2

About 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 67248938) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID67248938
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCOc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2
InChIInChI=1S/C21H16FN3O3/c1-26-13-5-7-18-16(10-13)21(11-27-20(23)25-21)15-9-12(4-6-17(15)28-18)14-3-2-8-24-19(14)22/h2-10H,11H2,1H3,(H2,23,25)
InChIKeyOBYZGFIQLJUGCH-UHFFFAOYSA-N
XLogP3.59
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 67248938) is 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2.
What is the InChIKey of 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is OBYZGFIQLJUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-26-13-5-7-18-16(10-13)21(11-27-20(23)25-21)15-9-12(4-6-17(15)28-18)14-3-2-8-24-19(14)22/h2-10H,11H2,1H3,(H2,23,25).
What are the key properties of 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 377.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-fluoro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67248938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).