(3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine

C16H14Br2N2O — CID 122622054

IUPAC(3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESBrc1ccc(NC2=N[C@@H](c3ccccc3)COC2)c(Br)c1
InChIInChI=1S/C16H14Br2N2O/c17-12-6-7-14(13(18)8-12)19-16-10-21-9-15(20-16)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,19,20)/t15-/m1/s1
InChIKeyYHRXLWPZGLNTLA-OAHLLOKOSA-N
MW410.11 g/mol
LogP4.79
Rot. Bonds2

About (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine

(3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 122622054) has the molecular formula C16H14Br2N2O and a molecular weight of 410.11 g/mol. Its IUPAC name is (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound Name(3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID122622054
Molecular FormulaC16H14Br2N2O
Molecular Weight410.11 g/mol
Exact Mass407.95
IUPAC Name(3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESBrc1ccc(NC2=N[C@@H](c3ccccc3)COC2)c(Br)c1
InChIInChI=1S/C16H14Br2N2O/c17-12-6-7-14(13(18)8-12)19-16-10-21-9-15(20-16)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,19,20)/t15-/m1/s1
InChIKeyYHRXLWPZGLNTLA-OAHLLOKOSA-N
XLogP4.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-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 (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 122622054) is (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine is Brc1ccc(NC2=N[C@@H](c3ccccc3)COC2)c(Br)c1.
What is the InChIKey of (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is YHRXLWPZGLNTLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Br2N2O/c17-12-6-7-14(13(18)8-12)19-16-10-21-9-15(20-16)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,19,20)/t15-/m1/s1.
What are the key properties of (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
(3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 410.11 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-dibromophenyl)-3-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 122622054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).