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

C12H16N2O2 — CID 117314408

IUPAC2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one
SMILESNCCCc1ccccc1N1OCCC1=O
InChIInChI=1S/C12H16N2O2/c13-8-3-5-10-4-1-2-6-11(10)14-12(15)7-9-16-14/h1-2,4,6H,3,5,7-9,13H2
InChIKeyQHOCYJLDBWIOSZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.25
Rot. Bonds4

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

2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117314408) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117314408
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one
SMILESNCCCc1ccccc1N1OCCC1=O
InChIInChI=1S/C12H16N2O2/c13-8-3-5-10-4-1-2-6-11(10)14-12(15)7-9-16-14/h1-2,4,6H,3,5,7-9,13H2
InChIKeyQHOCYJLDBWIOSZ-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one (CID 117314408) is 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one is NCCCc1ccccc1N1OCCC1=O.
What is the InChIKey of 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is QHOCYJLDBWIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-8-3-5-10-4-1-2-6-11(10)14-12(15)7-9-16-14/h1-2,4,6H,3,5,7-9,13H2.
What are the key properties of 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one?
2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117314408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).