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

C15H17N3O2 — CID 104912019

IUPAC3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CC(c1noc([C@@H]3CCCNC3)n1)O2
InChIInChI=1S/C15H17N3O2/c1-2-6-12-10(4-1)8-13(19-12)14-17-15(20-18-14)11-5-3-7-16-9-11/h1-2,4,6,11,13,16H,3,5,7-9H2/t11-,13?/m1/s1
InChIKeyYUYNIOGOEHNOPY-JTDNENJMSA-N
MW271.32 g/mol
LogP2.21
Rot. Bonds2

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

3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104912019) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104912019
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CC(c1noc([C@@H]3CCCNC3)n1)O2
InChIInChI=1S/C15H17N3O2/c1-2-6-12-10(4-1)8-13(19-12)14-17-15(20-18-14)11-5-3-7-16-9-11/h1-2,4,6,11,13,16H,3,5,7-9H2/t11-,13?/m1/s1
InChIKeyYUYNIOGOEHNOPY-JTDNENJMSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895
3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915114
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104912019) is 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is c1ccc2c(c1)CC(c1noc([C@@H]3CCCNC3)n1)O2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is YUYNIOGOEHNOPY-JTDNENJMSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-6-12-10(4-1)8-13(19-12)14-17-15(20-18-14)11-5-3-7-16-9-11/h1-2,4,6,11,13,16H,3,5,7-9H2/t11-,13?/m1/s1.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104912019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).