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

C14H15N3O4 — CID 103971723

IUPAC3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc2c(c1)OCC(c1nc(C3COCCN3)no1)O2
InChIInChI=1S/C14H15N3O4/c1-2-4-11-10(3-1)19-8-12(20-11)14-16-13(17-21-14)9-7-18-6-5-15-9/h1-4,9,12,15H,5-8H2
InChIKeyYITXQHIXBKXAHQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.24
Rot. Bonds2

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

3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971723) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971723
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc2c(c1)OCC(c1nc(C3COCCN3)no1)O2
InChIInChI=1S/C14H15N3O4/c1-2-4-11-10(3-1)19-8-12(20-11)14-16-13(17-21-14)9-7-18-6-5-15-9/h1-4,9,12,15H,5-8H2
InChIKeyYITXQHIXBKXAHQ-UHFFFAOYSA-N
XLogP1.24
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916956
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97330359
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17015658
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75484051
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971647
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83191926
5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 136664711
3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971470

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971723) is 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine is c1ccc2c(c1)OCC(c1nc(C3COCCN3)no1)O2.
What is the InChIKey of 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is YITXQHIXBKXAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-4-11-10(3-1)19-8-12(20-11)14-16-13(17-21-14)9-7-18-6-5-15-9/h1-4,9,12,15H,5-8H2.
What are the key properties of 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 289.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).