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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Related Compounds

3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 82079805
1-(4-amino-2-methylbutan-2-yl)-4-pyridin-3-ylimidazolidin-2-one
CID 116978803
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine
CID 82125758
3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 99928981
2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one
CID 90480716
N-[2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)ethyl]butanamide
CID 110707104
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174745623
5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 67608405
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
CID 70195308
2-[5-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 83850912

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).