3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

C15H11BrFN3O3 — CID 59272353

IUPAC3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESCOc1cc(F)c2c(c1)C1(COC(N)=N1)c1cc(Br)cnc1O2
InChIInChI=1S/C15H11BrFN3O3/c1-21-8-3-9-12(11(17)4-8)23-13-10(2-7(16)5-19-13)15(9)6-22-14(18)20-15/h2-5H,6H2,1H3,(H2,18,20)
InChIKeyBVKYIDIVWZJJAY-UHFFFAOYSA-N
MW380.17 g/mol
LogP2.69
Rot. Bonds1

About 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine (PubChem CID 59272353) has the molecular formula C15H11BrFN3O3 and a molecular weight of 380.17 g/mol. Its IUPAC name is 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine.

Molecular Properties

Compound Name3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
PubChem CID59272353
Molecular FormulaC15H11BrFN3O3
Molecular Weight380.17 g/mol
Exact Mass379.00
IUPAC Name3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESCOc1cc(F)c2c(c1)C1(COC(N)=N1)c1cc(Br)cnc1O2
InChIInChI=1S/C15H11BrFN3O3/c1-21-8-3-9-12(11(17)4-8)23-13-10(2-7(16)5-19-13)15(9)6-22-14(18)20-15/h2-5H,6H2,1H3,(H2,18,20)
InChIKeyBVKYIDIVWZJJAY-UHFFFAOYSA-N
XLogP2.69
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The IUPAC name of 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine (CID 59272353) is 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine.
What is the SMILES notation for 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The canonical SMILES for 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine is COc1cc(F)c2c(c1)C1(COC(N)=N1)c1cc(Br)cnc1O2.
What is the InChIKey of 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The InChIKey is BVKYIDIVWZJJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O3/c1-21-8-3-9-12(11(17)4-8)23-13-10(2-7(16)5-19-13)15(9)6-22-14(18)20-15/h2-5H,6H2,1H3,(H2,18,20).
What are the key properties of 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine has a molecular weight of 380.17 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-bromo-9'-fluoro-7'-methoxyspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine is sourced from PubChem (CID 59272353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).