(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one

C12H15NO4 — CID 171184846

IUPAC(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1cccc([C@H]2CCOC(=O)N2)c1OC
InChIInChI=1S/C12H15NO4/c1-15-10-5-3-4-8(11(10)16-2)9-6-7-17-12(14)13-9/h3-5,9H,6-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyBZEXTDLPJDPFQJ-SECBINFHSA-N
MW237.25 g/mol
LogP1.87
Rot. Bonds3

About (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one

(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one (PubChem CID 171184846) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
PubChem CID171184846
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1cccc([C@H]2CCOC(=O)N2)c1OC
InChIInChI=1S/C12H15NO4/c1-15-10-5-3-4-8(11(10)16-2)9-6-7-17-12(14)13-9/h3-5,9H,6-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyBZEXTDLPJDPFQJ-SECBINFHSA-N
XLogP1.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one with MolForge

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Related Compounds

(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4R)-4-(2,3-dimethoxyphenyl)imidazolidin-2-one
CID 171252494
5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
CID 4054499
(4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one
CID 171183810
(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
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
(4R)-4-(4-bromo-2,5-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171185345
(4R)-4-(2-bromo-4,5-dimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184854
(4R)-4-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one
CID 171185420
(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131484932

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one (CID 171184846) is (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one is COc1cccc([C@H]2CCOC(=O)N2)c1OC.
What is the InChIKey of (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is BZEXTDLPJDPFQJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-10-5-3-4-8(11(10)16-2)9-6-7-17-12(14)13-9/h3-5,9H,6-7H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one?
(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 237.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171184846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).