5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one

C8H16N2O2 — CID 115065232

IUPAC5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCN1CC(C)(CCCN)OC1=O
InChIInChI=1S/C8H16N2O2/c1-8(4-3-5-9)6-10(2)7(11)12-8/h3-6,9H2,1-2H3
InChIKeyZOEYTRLGZJOODK-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.57
Rot. Bonds3

About 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one

5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 115065232) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID115065232
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCN1CC(C)(CCCN)OC1=O
InChIInChI=1S/C8H16N2O2/c1-8(4-3-5-9)6-10(2)7(11)12-8/h3-6,9H2,1-2H3
InChIKeyZOEYTRLGZJOODK-UHFFFAOYSA-N
XLogP0.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one (CID 115065232) is 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one is CN1CC(C)(CCCN)OC1=O.
What is the InChIKey of 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is ZOEYTRLGZJOODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(4-3-5-9)6-10(2)7(11)12-8/h3-6,9H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).