2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole

C8H14N2O2 — CID 91545902

IUPAC2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESC1COC(CCC2NCCO2)=N1
InChIInChI=1S/C8H14N2O2/c1(7-9-3-5-11-7)2-8-10-4-6-12-8/h7,9H,1-6H2
InChIKeyOSRXFAULPMCCDK-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.14
Rot. Bonds3

About 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole

2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 91545902) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID91545902
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESC1COC(CCC2NCCO2)=N1
InChIInChI=1S/C8H14N2O2/c1(7-9-3-5-11-7)2-8-10-4-6-12-8/h7,9H,1-6H2
InChIKeyOSRXFAULPMCCDK-UHFFFAOYSA-N
XLogP0.14
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole (CID 91545902) is 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole is C1COC(CCC2NCCO2)=N1.
What is the InChIKey of 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OSRXFAULPMCCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1(7-9-3-5-11-7)2-8-10-4-6-12-8/h7,9H,1-6H2.
What are the key properties of 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 170.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91545902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).