[2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate

C15H19NO7 — CID 3039675

IUPAC[2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1c(OC)cc(C(=O)N2CCCO2)cc1OC
InChIInChI=1S/C15H19NO7/c1-4-21-15(18)23-13-11(19-2)8-10(9-12(13)20-3)14(17)16-6-5-7-22-16/h8-9H,4-7H2,1-3H3
InChIKeyRMFXNXKYOHOZRK-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.02
Rot. Bonds5

About [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate

[2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate (PubChem CID 3039675) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate
PubChem CID3039675
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name[2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1c(OC)cc(C(=O)N2CCCO2)cc1OC
InChIInChI=1S/C15H19NO7/c1-4-21-15(18)23-13-11(19-2)8-10(9-12(13)20-3)14(17)16-6-5-7-22-16/h8-9H,4-7H2,1-3H3
InChIKeyRMFXNXKYOHOZRK-UHFFFAOYSA-N
XLogP2.02
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate?
The IUPAC name of [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate (CID 3039675) is [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate.
What is the SMILES notation for [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate?
The canonical SMILES for [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate is CCOC(=O)Oc1c(OC)cc(C(=O)N2CCCO2)cc1OC.
What is the InChIKey of [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate?
The InChIKey is RMFXNXKYOHOZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO7/c1-4-21-15(18)23-13-11(19-2)8-10(9-12(13)20-3)14(17)16-6-5-7-22-16/h8-9H,4-7H2,1-3H3.
What are the key properties of [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate?
[2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate has a molecular weight of 325.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-(1,2-oxazolidine-2-carbonyl)phenyl] ethyl carbonate is sourced from PubChem (CID 3039675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).