2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol

C13H13NO4 — CID 65017848

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C13H13NO4/c15-4-3-10-8-11(14-18-10)9-1-2-12-13(7-9)17-6-5-16-12/h1-2,7-8,15H,3-6H2
InChIKeyKCVKFFIREYSIPZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.65
Rot. Bonds3

About 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol (PubChem CID 65017848) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol
PubChem CID65017848
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C13H13NO4/c15-4-3-10-8-11(14-18-10)9-1-2-12-13(7-9)17-6-5-16-12/h1-2,7-8,15H,3-6H2
InChIKeyKCVKFFIREYSIPZ-UHFFFAOYSA-N
XLogP1.65
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol (CID 65017848) is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol is OCCc1cc(-c2ccc3c(c2)OCCO3)no1.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is KCVKFFIREYSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-4-3-10-8-11(14-18-10)9-1-2-12-13(7-9)17-6-5-16-12/h1-2,7-8,15H,3-6H2.
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol?
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 247.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 65017848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).