2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone

C23H22N4O3 — CID 92560326

IUPAC2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1ccc2c(CC(=O)N3CC[C@H](c4nnc(-c5ccc(C)nc5)o4)C3)coc2c1
InChIInChI=1S/C23H22N4O3/c1-14-3-6-19-18(13-29-20(19)9-14)10-21(28)27-8-7-17(12-27)23-26-25-22(30-23)16-5-4-15(2)24-11-16/h3-6,9,11,13,17H,7-8,10,12H2,1-2H3/t17-/m0/s1
InChIKeyQXBHEWDWMYPLJW-KRWDZBQOSA-N
MW402.45 g/mol
LogP4.05
Rot. Bonds4

About 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone

2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 92560326) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID92560326
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1ccc2c(CC(=O)N3CC[C@H](c4nnc(-c5ccc(C)nc5)o4)C3)coc2c1
InChIInChI=1S/C23H22N4O3/c1-14-3-6-19-18(13-29-20(19)9-14)10-21(28)27-8-7-17(12-27)23-26-25-22(30-23)16-5-4-15(2)24-11-16/h3-6,9,11,13,17H,7-8,10,12H2,1-2H3/t17-/m0/s1
InChIKeyQXBHEWDWMYPLJW-KRWDZBQOSA-N
XLogP4.05
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267
2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124964719
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92556137
1-[(2R)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 92560333
1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963730
(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide
CID 51137817
2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983415
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 121069413
2-(6-methyl-1-benzofuran-3-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 124957195
2-(6-methyl-1-benzofuran-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 18872264
[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 92558985
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8845835

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (CID 92560326) is 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone is Cc1ccc2c(CC(=O)N3CC[C@H](c4nnc(-c5ccc(C)nc5)o4)C3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is QXBHEWDWMYPLJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-14-3-6-19-18(13-29-20(19)9-14)10-21(28)27-8-7-17(12-27)23-26-25-22(30-23)16-5-4-15(2)24-11-16/h3-6,9,11,13,17H,7-8,10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 402.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92560326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).