3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one

C7H13NO4 — CID 22000695

IUPAC3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one
SMILESCC(O)OC(C)N1CCOC1=O
InChIInChI=1S/C7H13NO4/c1-5(12-6(2)9)8-3-4-11-7(8)10/h5-6,9H,3-4H2,1-2H3
InChIKeyRMPJULRUXLGVOR-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.14
Rot. Bonds3

About 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one

3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one (PubChem CID 22000695) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one
PubChem CID22000695
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one
SMILESCC(O)OC(C)N1CCOC1=O
InChIInChI=1S/C7H13NO4/c1-5(12-6(2)9)8-3-4-11-7(8)10/h5-6,9H,3-4H2,1-2H3
InChIKeyRMPJULRUXLGVOR-UHFFFAOYSA-N
XLogP0.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one (CID 22000695) is 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one is CC(O)OC(C)N1CCOC1=O.
What is the InChIKey of 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is RMPJULRUXLGVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(12-6(2)9)8-3-4-11-7(8)10/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one?
3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 175.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22000695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).