[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C19H23N3O3 — CID 96561469

IUPAC[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)CC2)no1
InChIInChI=1S/C19H23N3O3/c1-11-8-15-10-17(24-16(15)9-12(11)2)19(23)22-6-4-14(5-7-22)18-20-13(3)25-21-18/h8-9,14,17H,4-7,10H2,1-3H3/t17-/m1/s1
InChIKeyAGUJMUFFAGKRRX-QGZVFWFLSA-N
MW341.41 g/mol
LogP2.70
Rot. Bonds2

About [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 96561469) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID96561469
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)CC2)no1
InChIInChI=1S/C19H23N3O3/c1-11-8-15-10-17(24-16(15)9-12(11)2)19(23)22-6-4-14(5-7-22)18-20-13(3)25-21-18/h8-9,14,17H,4-7,10H2,1-3H3/t17-/m1/s1
InChIKeyAGUJMUFFAGKRRX-QGZVFWFLSA-N
XLogP2.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95774511
(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119547050
1-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354801
(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823997
[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779415
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72854779
(2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 167953199
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95578540
1-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168299
(3S,4S)-1-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952828
(2R)-1-[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 124699315
[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124686928

Frequently Asked Questions

What is the IUPAC name of [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 96561469) is [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)CC2)no1.
What is the InChIKey of [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is AGUJMUFFAGKRRX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-8-15-10-17(24-16(15)9-12(11)2)19(23)22-6-4-14(5-7-22)18-20-13(3)25-21-18/h8-9,14,17H,4-7,10H2,1-3H3/t17-/m1/s1.
What are the key properties of [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 96561469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).