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

C14H15N3O3 — CID 103971991

IUPAC2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc2c(c1)OCC2c1nc(C2CNCCO2)no1
InChIInChI=1S/C14H15N3O3/c1-2-4-11-9(3-1)10(8-19-11)14-16-13(17-20-14)12-7-15-5-6-18-12/h1-4,10,12,15H,5-8H2
InChIKeyQBLPQIPRIPLOPV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.25
Rot. Bonds2

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

2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971991) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971991
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc2c(c1)OCC2c1nc(C2CNCCO2)no1
InChIInChI=1S/C14H15N3O3/c1-2-4-11-9(3-1)10(8-19-11)14-16-13(17-20-14)12-7-15-5-6-18-12/h1-4,10,12,15H,5-8H2
InChIKeyQBLPQIPRIPLOPV-UHFFFAOYSA-N
XLogP1.25
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 64982138
2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971824
3-(2,3-dihydro-1-benzofuran-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915112
2-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)morpholine
CID 103972025
2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972028
5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351090
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971788
3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474204
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972015
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971991) is 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine is c1ccc2c(c1)OCC2c1nc(C2CNCCO2)no1.
What is the InChIKey of 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is QBLPQIPRIPLOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-4-11-9(3-1)10(8-19-11)14-16-13(17-20-14)12-7-15-5-6-18-12/h1-4,10,12,15H,5-8H2.
What are the key properties of 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 273.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).