(4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C16H12BrFN2O2 — CID 58465980

IUPAC(4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(Br)cc(F)c1O2
InChIInChI=1S/C16H12BrFN2O2/c1-8-2-3-13-10(4-8)16(7-21-15(19)20-16)11-5-9(17)6-12(18)14(11)22-13/h2-6H,7H2,1H3,(H2,19,20)/t16-/m0/s1
InChIKeyWVZDYNZPCVTSJC-INIZCTEOSA-N
MW363.19 g/mol
LogP3.59
Rot. Bonds

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

(4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 58465980) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name(4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID58465980
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name(4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(Br)cc(F)c1O2
InChIInChI=1S/C16H12BrFN2O2/c1-8-2-3-13-10(4-8)16(7-21-15(19)20-16)11-5-9(17)6-12(18)14(11)22-13/h2-6H,7H2,1H3,(H2,19,20)/t16-/m0/s1
InChIKeyWVZDYNZPCVTSJC-INIZCTEOSA-N
XLogP3.59
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2'-bromo-4'-fluoro-7'-methylspiro[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 (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 58465980) is (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is Cc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(Br)cc(F)c1O2.
What is the InChIKey of (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is WVZDYNZPCVTSJC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-8-2-3-13-10(4-8)16(7-21-15(19)20-16)11-5-9(17)6-12(18)14(11)22-13/h2-6H,7H2,1H3,(H2,19,20)/t16-/m0/s1.
What are the key properties of (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
(4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 363.19 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2'-bromo-4'-fluoro-7'-methylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 58465980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).