(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride

C12H15BrClNO3 — CID 171185097

IUPAC(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@H]1CCOC(=O)N1.Cl
InChIInChI=1S/C12H14BrNO3.ClH/c1-2-16-11-4-3-8(13)7-9(11)10-5-6-17-12(15)14-10;/h3-4,7,10H,2,5-6H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyGCROVRZXSNDLET-HNCPQSOCSA-N
MW336.61 g/mol
LogP3.44
Rot. Bonds3

About (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185097) has the molecular formula C12H15BrClNO3 and a molecular weight of 336.61 g/mol. Its IUPAC name is (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185097
Molecular FormulaC12H15BrClNO3
Molecular Weight336.61 g/mol
Exact Mass334.99
IUPAC Name(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@H]1CCOC(=O)N1.Cl
InChIInChI=1S/C12H14BrNO3.ClH/c1-2-16-11-4-3-8(13)7-9(11)10-5-6-17-12(15)14-10;/h3-4,7,10H,2,5-6H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyGCROVRZXSNDLET-HNCPQSOCSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185142
(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184995
(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185028
(4S)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
CID 42579904
(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184614
(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171184502
(4R)-4-(2-bromo-4,5-dimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184854
(4R)-4-(4-bromo-2,5-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171185345
(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184970
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
ethyl (4R)-4-(5-bromo-2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1242136

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185097) is (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is CCOc1ccc(Br)cc1[C@H]1CCOC(=O)N1.Cl.
What is the InChIKey of (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is GCROVRZXSNDLET-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H14BrNO3.ClH/c1-2-16-11-4-3-8(13)7-9(11)10-5-6-17-12(15)14-10;/h3-4,7,10H,2,5-6H2,1H3,(H,14,15);1H/t10-;/m1./s1.
What are the key properties of (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 336.61 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).