6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine

C15H17BrN2O3 — CID 86724229

IUPAC—
SMILESCC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C15H17BrN2O3/c1-13(2)14(6-19-7-14)15(8-20-12(17)18-15)10-5-9(16)3-4-11(10)21-13/h3-5H,6-8H2,1-2H3,(H2,17,18)
InChIKeyBFCFOLFRUMYREH-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.18
Rot. Bonds

About 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine

6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine (PubChem CID 86724229) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol.

Molecular Properties

Compound Name6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine
PubChem CID86724229
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name—
SMILESCC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C15H17BrN2O3/c1-13(2)14(6-19-7-14)15(8-20-12(17)18-15)10-5-9(16)3-4-11(10)21-13/h3-5H,6-8H2,1-2H3,(H2,17,18)
InChIKeyBFCFOLFRUMYREH-UHFFFAOYSA-N
XLogP2.18
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-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 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine?
The IUPAC name of 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine (CID 86724229) is not available.
What is the SMILES notation for 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine?
The canonical SMILES for 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine is CC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine?
The InChIKey is BFCFOLFRUMYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-13(2)14(6-19-7-14)15(8-20-12(17)18-15)10-5-9(16)3-4-11(10)21-13/h3-5H,6-8H2,1-2H3,(H2,17,18).
What are the key properties of 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine?
6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine has a molecular weight of 353.22 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine is sourced from PubChem (CID 86724229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).