(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride

C11H14ClNO3 — CID 171185520

IUPAC(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1ccccc1[C@@H]1CCOC(=O)N1.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-14-10-5-3-2-4-8(10)9-6-7-15-11(13)12-9;/h2-5,9H,6-7H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyUEYYKQPHMNAKAZ-FVGYRXGTSA-N
MW243.69 g/mol
LogP2.29
Rot. Bonds2

About (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride

(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185520) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185520
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1ccccc1[C@@H]1CCOC(=O)N1.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-14-10-5-3-2-4-8(10)9-6-7-15-11(13)12-9;/h2-5,9H,6-7H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyUEYYKQPHMNAKAZ-FVGYRXGTSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
CID 171185374
(4R)-4-(2-bromo-4,5-dimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184854
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4S)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171186072
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183799
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185407
(4R)-4-(4-bromo-2,5-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171185345

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185520) is (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is COc1ccccc1[C@@H]1CCOC(=O)N1.Cl.
What is the InChIKey of (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is UEYYKQPHMNAKAZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c1-14-10-5-3-2-4-8(10)9-6-7-15-11(13)12-9;/h2-5,9H,6-7H2,1H3,(H,12,13);1H/t9-;/m0./s1.
What are the key properties of (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).