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

C12H11NO4 — CID 16641467

IUPAC[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C12H11NO4/c14-7-9-6-11(17-13-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6,14H,3-4,7H2
InChIKeyQNKJCCWGHUHDOS-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.61
Rot. Bonds2

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

[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol (PubChem CID 16641467) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol
PubChem CID16641467
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C12H11NO4/c14-7-9-6-11(17-13-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6,14H,3-4,7H2
InChIKeyQNKJCCWGHUHDOS-UHFFFAOYSA-N
XLogP1.61
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol (CID 16641467) is [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol is OCc1cc(-c2ccc3c(c2)OCCO3)on1.
What is the InChIKey of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol?
The InChIKey is QNKJCCWGHUHDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-7-9-6-11(17-13-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6,14H,3-4,7H2.
What are the key properties of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol?
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol has a molecular weight of 233.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 16641467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).