3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one

C10H13N3O2 — CID 82077424

IUPAC3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESNCCN1CC(c2cccnc2)OC1=O
InChIInChI=1S/C10H13N3O2/c11-3-5-13-7-9(15-10(13)14)8-2-1-4-12-6-8/h1-2,4,6,9H,3,5,7,11H2
InChIKeyXTNVWYXEWSBVGA-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.53
Rot. Bonds3

About 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one

3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 82077424) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID82077424
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESNCCN1CC(c2cccnc2)OC1=O
InChIInChI=1S/C10H13N3O2/c11-3-5-13-7-9(15-10(13)14)8-2-1-4-12-6-8/h1-2,4,6,9H,3,5,7,11H2
InChIKeyXTNVWYXEWSBVGA-UHFFFAOYSA-N
XLogP0.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 82077424) is 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one is NCCN1CC(c2cccnc2)OC1=O.
What is the InChIKey of 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is XTNVWYXEWSBVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-3-5-13-7-9(15-10(13)14)8-2-1-4-12-6-8/h1-2,4,6,9H,3,5,7,11H2.
What are the key properties of 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one?
3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 82077424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).