(4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one

C15H21NO3 — CID 171188579

IUPAC(4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCOc1c(C)cc([C@H]2NC(=O)OCC2(C)C)cc1C
InChIInChI=1S/C15H21NO3/c1-9-6-11(7-10(2)12(9)18-5)13-15(3,4)8-19-14(17)16-13/h6-7,13H,8H2,1-5H3,(H,16,17)/t13-/m1/s1
InChIKeyUQOUQRMAJCLELM-CYBMUJFWSA-N
MW263.34 g/mol
LogP3.12
Rot. Bonds2

About (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one

(4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 171188579) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID171188579
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCOc1c(C)cc([C@H]2NC(=O)OCC2(C)C)cc1C
InChIInChI=1S/C15H21NO3/c1-9-6-11(7-10(2)12(9)18-5)13-15(3,4)8-19-14(17)16-13/h6-7,13H,8H2,1-5H3,(H,16,17)/t13-/m1/s1
InChIKeyUQOUQRMAJCLELM-CYBMUJFWSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one (CID 171188579) is (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one is COc1c(C)cc([C@H]2NC(=O)OCC2(C)C)cc1C.
What is the InChIKey of (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is UQOUQRMAJCLELM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-6-11(7-10(2)12(9)18-5)13-15(3,4)8-19-14(17)16-13/h6-7,13H,8H2,1-5H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
(4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 263.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 171188579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).