2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one

C8H15NO3 — CID 105435464

IUPAC2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one
SMILESCC(CO)CN1OC(C)CC1=O
InChIInChI=1S/C8H15NO3/c1-6(5-10)4-9-8(11)3-7(2)12-9/h6-7,10H,3-5H2,1-2H3
InChIKeySHNFLRQCGLSTBT-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.17
Rot. Bonds3

About 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one

2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one (PubChem CID 105435464) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one
PubChem CID105435464
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one
SMILESCC(CO)CN1OC(C)CC1=O
InChIInChI=1S/C8H15NO3/c1-6(5-10)4-9-8(11)3-7(2)12-9/h6-7,10H,3-5H2,1-2H3
InChIKeySHNFLRQCGLSTBT-UHFFFAOYSA-N
XLogP0.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-hydroxy-2-methylpropyl)-5-methylpyrazolidin-3-one
CID 105435152
5-(3-hydroxy-2-methylpropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
CID 105441592
methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid
CID 59102717
5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
CID 105467971
5-cyclopropyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
CID 105451618
2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one
CID 105460103
5-cyclobutyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
CID 105466140
1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione
CID 79244368
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol
CID 115873173
(3S)-4-hydroxy-3-methylbutanoic acid;bis((4S)-4-methyloxolan-2-one)
CID 159892024
3-(1-hydroxypropan-2-ylsulfanyl)-5-methyloxolan-2-one
CID 130735072

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one (CID 105435464) is 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one is CC(CO)CN1OC(C)CC1=O.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one?
The InChIKey is SHNFLRQCGLSTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(5-10)4-9-8(11)3-7(2)12-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one?
2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one has a molecular weight of 173.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 105435464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).