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

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Related Compounds

2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one
CID 117340817
2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one
CID 117342188
2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one
CID 117297320
2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one
CID 117314462
2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one
CID 117311947
1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione
CID 117370686
ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate
CID 117411933
2-(3-aminophenyl)-1,2-oxazolidin-3-one
CID 105437344
2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one
CID 117315639
2-methyl-3-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid
CID 117375581
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one
CID 117405204

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).