3-(pentoxymethyl)-1,3-oxazolidin-2-one

C9H17NO3 — CID 70584477

IUPAC3-(pentoxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCCOCN1CCOC1=O
InChIInChI=1S/C9H17NO3/c1-2-3-4-6-12-8-10-5-7-13-9(10)11/h2-8H2,1H3
InChIKeyVUQQXWLFUGBLMW-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds6

About 3-(pentoxymethyl)-1,3-oxazolidin-2-one

3-(pentoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 70584477) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(pentoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(pentoxymethyl)-1,3-oxazolidin-2-one
PubChem CID70584477
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(pentoxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCCOCN1CCOC1=O
InChIInChI=1S/C9H17NO3/c1-2-3-4-6-12-8-10-5-7-13-9(10)11/h2-8H2,1H3
InChIKeyVUQQXWLFUGBLMW-UHFFFAOYSA-N
XLogP1.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(pentoxymethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(pentoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(pentoxymethyl)-1,3-oxazolidin-2-one (CID 70584477) is 3-(pentoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(pentoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(pentoxymethyl)-1,3-oxazolidin-2-one is CCCCCOCN1CCOC1=O.
What is the InChIKey of 3-(pentoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VUQQXWLFUGBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-4-6-12-8-10-5-7-13-9(10)11/h2-8H2,1H3.
What are the key properties of 3-(pentoxymethyl)-1,3-oxazolidin-2-one?
3-(pentoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70584477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).