2-(2-bromophenyl)-1,3-oxazinane

C10H12BrNO — CID 82293281

IUPAC2-(2-bromophenyl)-1,3-oxazinane
SMILESBrc1ccccc1C1NCCCO1
InChIInChI=1S/C10H12BrNO/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10,12H,3,6-7H2
InChIKeyZDSXZAHXFVSDEM-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.46
Rot. Bonds1

About 2-(2-bromophenyl)-1,3-oxazinane

2-(2-bromophenyl)-1,3-oxazinane (PubChem CID 82293281) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,3-oxazinane.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,3-oxazinane
PubChem CID82293281
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(2-bromophenyl)-1,3-oxazinane
SMILESBrc1ccccc1C1NCCCO1
InChIInChI=1S/C10H12BrNO/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10,12H,3,6-7H2
InChIKeyZDSXZAHXFVSDEM-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-oxazolidin-2-yl)phenol
CID 68731232
2-(2-bromophenyl)imidazolidine
CID 10331308
3-(2-bromophenyl)-1,4-thiazepane
CID 66219747
2-(2-bromophenyl)-5-methyl-1,3-oxazolidine
CID 82293279
(2S)-2-(2-bromophenyl)oxirane
CID 30071402
2-(2-bromophenyl)-5-methyl-1,4-oxazepane
CID 83188100
2-(2-bromophenyl)piperidin-3-ol;hydrochloride
CID 115052990
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
2-(2-bromophenyl)-3,3-difluoropiperidine
CID 84730265
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride
CID 115051098
3-(2-chlorophenyl)-1,4-oxazepane
CID 131296603

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,3-oxazinane?
The IUPAC name of 2-(2-bromophenyl)-1,3-oxazinane (CID 82293281) is 2-(2-bromophenyl)-1,3-oxazinane.
What is the SMILES notation for 2-(2-bromophenyl)-1,3-oxazinane?
The canonical SMILES for 2-(2-bromophenyl)-1,3-oxazinane is Brc1ccccc1C1NCCCO1.
What is the InChIKey of 2-(2-bromophenyl)-1,3-oxazinane?
The InChIKey is ZDSXZAHXFVSDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10,12H,3,6-7H2.
What are the key properties of 2-(2-bromophenyl)-1,3-oxazinane?
2-(2-bromophenyl)-1,3-oxazinane has a molecular weight of 242.12 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,3-oxazinane is sourced from PubChem (CID 82293281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).