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

C12H16N2O2 — CID 117314462

IUPAC2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one
SMILESCC(N)Cc1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(13)8-10-2-4-11(5-3-10)14-12(15)6-7-16-14/h2-5,9H,6-8,13H2,1H3
InChIKeyMNDXJIAKLGEWMO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.24
Rot. Bonds3

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

2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117314462) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117314462
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one
SMILESCC(N)Cc1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(13)8-10-2-4-11(5-3-10)14-12(15)6-7-16-14/h2-5,9H,6-8,13H2,1H3
InChIKeyMNDXJIAKLGEWMO-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one (CID 117314462) is 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one is CC(N)Cc1ccc(N2OCCC2=O)cc1.
What is the InChIKey of 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is MNDXJIAKLGEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(13)8-10-2-4-11(5-3-10)14-12(15)6-7-16-14/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one?
2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117314462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).