5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole

C14H15N3O3 — CID 120892299

IUPAC5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(COC3CNC3)n1)CCO2
InChIInChI=1S/C14H15N3O3/c1-2-12-9(3-4-18-12)5-10(1)14-16-13(20-17-14)8-19-11-6-15-7-11/h1-2,5,11,15H,3-4,6-8H2
InChIKeyXDSYQXKCUAEURG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.16
Rot. Bonds4

About 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole

5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole (PubChem CID 120892299) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
PubChem CID120892299
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(COC3CNC3)n1)CCO2
InChIInChI=1S/C14H15N3O3/c1-2-12-9(3-4-18-12)5-10(1)14-16-13(20-17-14)8-19-11-6-15-7-11/h1-2,5,11,15H,3-4,6-8H2
InChIKeyXDSYQXKCUAEURG-UHFFFAOYSA-N
XLogP1.16
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(azetidin-3-yl)ethyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 167790866
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 75484551
(2R)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120892309
2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
CID 126773405
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylthiolan-3-amine
CID 86818297
ethane;3-(3-ethyl-4-methylsulfinylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 143388136
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120892284
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
CID 124848377
3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 63870917
[(2R,5S)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine;hydrochloride
CID 120892314
2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]cyclooctan-1-amine
CID 120892331
3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-N-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]propanamide
CID 20818898

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole (CID 120892299) is 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole is c1cc2c(cc1-c1noc(COC3CNC3)n1)CCO2.
What is the InChIKey of 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The InChIKey is XDSYQXKCUAEURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-12-9(3-4-18-12)5-10(1)14-16-13(20-17-14)8-19-11-6-15-7-11/h1-2,5,11,15H,3-4,6-8H2.
What are the key properties of 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole has a molecular weight of 273.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120892299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).