3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole

C17H20N2O3 — CID 124848377

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
SMILESCC(C)[C@H]1OCC[C@H]1c1nc(-c2ccc3c(c2)CCO3)no1
InChIInChI=1S/C17H20N2O3/c1-10(2)15-13(6-8-21-15)17-18-16(19-22-17)12-3-4-14-11(9-12)5-7-20-14/h3-4,9-10,13,15H,5-8H2,1-2H3/t13-,15-/m1/s1
InChIKeyMSDPOBJTPSKIMX-UKRRQHHQSA-N
MW300.36 g/mol
LogP3.20
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole

3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 124848377) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
PubChem CID124848377
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
SMILESCC(C)[C@H]1OCC[C@H]1c1nc(-c2ccc3c(c2)CCO3)no1
InChIInChI=1S/C17H20N2O3/c1-10(2)15-13(6-8-21-15)17-18-16(19-22-17)12-3-4-14-11(9-12)5-7-20-14/h3-4,9-10,13,15H,5-8H2,1-2H3/t13-,15-/m1/s1
InChIKeyMSDPOBJTPSKIMX-UKRRQHHQSA-N
XLogP3.20
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]cyclooctan-1-amine
CID 120892331
(2R)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120892309
5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 124841769
3-(6-piperidin-1-yl-3-pyridinyl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
CID 124851589
5-(4,4-difluoropyrrolidin-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 120892327
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 75484551
[(2R,5S)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine;hydrochloride
CID 120892314
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 91651422
5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 120892299
5-[2-(azetidin-3-yl)ethyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 167790866
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole (CID 124848377) is 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole is CC(C)[C@H]1OCC[C@H]1c1nc(-c2ccc3c(c2)CCO3)no1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is MSDPOBJTPSKIMX-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10(2)15-13(6-8-21-15)17-18-16(19-22-17)12-3-4-14-11(9-12)5-7-20-14/h3-4,9-10,13,15H,5-8H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole?
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 124848377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).