2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one

C12H16N2O2 — CID 117314433

IUPAC2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one
SMILESCC(C)(N)c1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-12(2,13)9-3-5-10(6-4-9)14-11(15)7-8-16-14/h3-6H,7-8,13H2,1-2H3
InChIKeyDMKSHHJLCDXWEB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.55
Rot. Bonds2

About 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one

2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117314433) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117314433
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one
SMILESCC(C)(N)c1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-12(2,13)9-3-5-10(6-4-9)14-11(15)7-8-16-14/h3-6H,7-8,13H2,1-2H3
InChIKeyDMKSHHJLCDXWEB-UHFFFAOYSA-N
XLogP1.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-aminopropan-2-yl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one (CID 117314433) is 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one is CC(C)(N)c1ccc(N2OCCC2=O)cc1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is DMKSHHJLCDXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,13)9-3-5-10(6-4-9)14-11(15)7-8-16-14/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one?
2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117314433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).