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

C19H23N3O3 — CID 98767778

IUPAC[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESCCc1nc([C@@H]2CCCN(C(=O)[C@H]3Oc4ccccc4[C@@H]3C)C2)no1
InChIInChI=1S/C19H23N3O3/c1-3-16-20-18(21-25-16)13-7-6-10-22(11-13)19(23)17-12(2)14-8-4-5-9-15(14)24-17/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3/t12-,13+,17-/m0/s1
InChIKeyRLZVKINYXFBUPP-AHIWAGSCSA-N
MW341.41 g/mol
LogP2.90
Rot. Bonds3

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

[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone (PubChem CID 98767778) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
PubChem CID98767778
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESCCc1nc([C@@H]2CCCN(C(=O)[C@H]3Oc4ccccc4[C@@H]3C)C2)no1
InChIInChI=1S/C19H23N3O3/c1-3-16-20-18(21-25-16)13-7-6-10-22(11-13)19(23)17-12(2)14-8-4-5-9-15(14)24-17/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3/t12-,13+,17-/m0/s1
InChIKeyRLZVKINYXFBUPP-AHIWAGSCSA-N
XLogP2.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95771104
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734396
(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 71930782
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 100850627
(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779273
(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one
CID 97359349
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95243344
(3R)-N-(3-cyanophenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95267695

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone?
The IUPAC name of [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone (CID 98767778) is [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone.
What is the SMILES notation for [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone?
The canonical SMILES for [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone is CCc1nc([C@@H]2CCCN(C(=O)[C@H]3Oc4ccccc4[C@@H]3C)C2)no1.
What is the InChIKey of [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone?
The InChIKey is RLZVKINYXFBUPP-AHIWAGSCSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-16-20-18(21-25-16)13-7-6-10-22(11-13)19(23)17-12(2)14-8-4-5-9-15(14)24-17/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3/t12-,13+,17-/m0/s1.
What are the key properties of [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone?
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 98767778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).