1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C13H14N2O4 — CID 103096202

IUPAC1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(C2COc3ccccc3O2)n1
InChIInChI=1S/C13H14N2O4/c1-2-8(16)12-14-13(19-15-12)11-7-17-9-5-3-4-6-10(9)18-11/h3-6,8,11,16H,2,7H2,1H3
InChIKeyRXZLHWPSKYURJX-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.03
Rot. Bonds3

About 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096202) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096202
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(C2COc3ccccc3O2)n1
InChIInChI=1S/C13H14N2O4/c1-2-8(16)12-14-13(19-15-12)11-7-17-9-5-3-4-6-10(9)18-11/h3-6,8,11,16H,2,7H2,1H3
InChIKeyRXZLHWPSKYURJX-UHFFFAOYSA-N
XLogP2.03
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol with MolForge

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Related Compounds

1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096385
ethyl 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379720
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17015658
1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096443
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62342567
(1R)-1-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915342
1-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65351994
3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971723
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916956
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
CID 114013464
5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 136664711
4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83191926

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096202) is 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(C2COc3ccccc3O2)n1.
What is the InChIKey of 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is RXZLHWPSKYURJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-8(16)12-14-13(19-15-12)11-7-17-9-5-3-4-6-10(9)18-11/h3-6,8,11,16H,2,7H2,1H3.
What are the key properties of 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 262.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).