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

C17H19N3O3 — CID 95578540

IUPAC[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)n1
InChIInChI=1S/C17H19N3O3/c1-11-18-16(23-19-11)12-6-8-20(9-7-12)17(21)15-10-13-4-2-3-5-14(13)22-15/h2-5,12,15H,6-10H2,1H3/t15-/m0/s1
InChIKeyJPNKGMOZFKEKDS-HNNXBMFYSA-N
MW313.36 g/mol
LogP2.09
Rot. Bonds2

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

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95578540) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID95578540
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)n1
InChIInChI=1S/C17H19N3O3/c1-11-18-16(23-19-11)12-6-8-20(9-7-12)17(21)15-10-13-4-2-3-5-14(13)22-15/h2-5,12,15H,6-10H2,1H3/t15-/m0/s1
InChIKeyJPNKGMOZFKEKDS-HNNXBMFYSA-N
XLogP2.09
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 18090174
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
1,4-dioxan-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47369855
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734693
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
2,3-dihydro-1-benzofuran-2-yl-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263199
2,3-dihydro-1-benzofuran-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646983
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 95324469
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9151427
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9151433

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 95578540) is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)n1.
What is the InChIKey of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JPNKGMOZFKEKDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-18-16(23-19-11)12-6-8-20(9-7-12)17(21)15-10-13-4-2-3-5-14(13)22-15/h2-5,12,15H,6-10H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 313.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95578540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).