2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one

C13H18N2O2 — CID 117340817

IUPAC2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one
SMILESCC(C)(N)Cc1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-13(2,14)9-10-3-5-11(6-4-10)15-12(16)7-8-17-15/h3-6H,7-9,14H2,1-2H3
InChIKeyCZGRYVZDGQJPDW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.63
Rot. Bonds3

About 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one

2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117340817) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117340817
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one
SMILESCC(C)(N)Cc1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-13(2,14)9-10-3-5-11(6-4-10)15-12(16)7-8-17-15/h3-6H,7-9,14H2,1-2H3
InChIKeyCZGRYVZDGQJPDW-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one (CID 117340817) is 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one is CC(C)(N)Cc1ccc(N2OCCC2=O)cc1.
What is the InChIKey of 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is CZGRYVZDGQJPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,14)9-10-3-5-11(6-4-10)15-12(16)7-8-17-15/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one?
2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 234.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117340817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).