3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C8H15NO3 — CID 67861503

IUPAC3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCN1CC(CO)OC1=O
InChIInChI=1S/C8H15NO3/c1-2-3-4-9-5-7(6-10)12-8(9)11/h7,10H,2-6H2,1H3
InChIKeyKTLAQZHKBRDIAL-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.60
Rot. Bonds4

About 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 67861503) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID67861503
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCN1CC(CO)OC1=O
InChIInChI=1S/C8H15NO3/c1-2-3-4-9-5-7(6-10)12-8(9)11/h7,10H,2-6H2,1H3
InChIKeyKTLAQZHKBRDIAL-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butyl-5-(hydroxymethyl)-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-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 67861503) is 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CCCCN1CC(CO)OC1=O.
What is the InChIKey of 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is KTLAQZHKBRDIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-4-9-5-7(6-10)12-8(9)11/h7,10H,2-6H2,1H3.
What are the key properties of 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67861503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).