[2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate

C14H15NO7 — CID 3039670

IUPAC[2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate
SMILESCOc1cc(C(=O)N2CCOC2=O)cc(OC)c1OC(C)=O
InChIInChI=1S/C14H15NO7/c1-8(16)22-12-10(19-2)6-9(7-11(12)20-3)13(17)15-4-5-21-14(15)18/h6-7H,4-5H2,1-3H3
InChIKeyBJPQZSMGXULUNO-UHFFFAOYSA-N
MW309.27 g/mol
LogP1.22
Rot. Bonds4

About [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate

[2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate (PubChem CID 3039670) has the molecular formula C14H15NO7 and a molecular weight of 309.27 g/mol. Its IUPAC name is [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate
PubChem CID3039670
Molecular FormulaC14H15NO7
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Name[2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate
SMILESCOc1cc(C(=O)N2CCOC2=O)cc(OC)c1OC(C)=O
InChIInChI=1S/C14H15NO7/c1-8(16)22-12-10(19-2)6-9(7-11(12)20-3)13(17)15-4-5-21-14(15)18/h6-7H,4-5H2,1-3H3
InChIKeyBJPQZSMGXULUNO-UHFFFAOYSA-N
XLogP1.22
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate
CID 12509978
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
CID 8649073
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
2,3-dihydro-1,4-benzoxazin-4-yl-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone
CID 43062738
(6-methoxy-5-methyl-1-oxo-3H-2-benzofuran-4-yl) acetate
CID 86136248
3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 71615334
[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
CID 91738957
[2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate
CID 3039675
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
[2-bromo-4-(1,3-dioxolan-2-yl)-6-methoxyphenyl] acetate
CID 170874264
(5-cyano-7-methoxy-1,3-benzodioxol-4-yl) acetate
CID 46949718

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate?
The IUPAC name of [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate (CID 3039670) is [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate.
What is the SMILES notation for [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate?
The canonical SMILES for [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate is COc1cc(C(=O)N2CCOC2=O)cc(OC)c1OC(C)=O.
What is the InChIKey of [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate?
The InChIKey is BJPQZSMGXULUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO7/c1-8(16)22-12-10(19-2)6-9(7-11(12)20-3)13(17)15-4-5-21-14(15)18/h6-7H,4-5H2,1-3H3.
What are the key properties of [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate?
[2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate has a molecular weight of 309.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate is sourced from PubChem (CID 3039670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).