4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one

C7H13NO3 — CID 69341199

IUPAC4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)(O)CC1COC(=O)N1
InChIInChI=1S/C7H13NO3/c1-7(2,10)3-5-4-11-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyMSMRBAAKNCMHAE-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.26
Rot. Bonds2

About 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one

4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 69341199) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID69341199
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)(O)CC1COC(=O)N1
InChIInChI=1S/C7H13NO3/c1-7(2,10)3-5-4-11-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyMSMRBAAKNCMHAE-UHFFFAOYSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxy-2-methylpropyl)-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 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one (CID 69341199) is 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)(O)CC1COC(=O)N1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is MSMRBAAKNCMHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,10)3-5-4-11-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69341199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).