2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C21H26N4O3 — CID 126805862

IUPAC2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCc1cc2occ(CC(=O)N3CCOCC3c3ncnn3C)c2cc1C(C)C
InChIInChI=1S/C21H26N4O3/c1-13(2)16-9-17-15(10-28-19(17)7-14(16)3)8-20(26)25-5-6-27-11-18(25)21-22-12-23-24(21)4/h7,9-10,12-13,18H,5-6,8,11H2,1-4H3
InChIKeyDWTWBBDDXIEXBJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.14
Rot. Bonds4

About 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 126805862) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID126805862
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCc1cc2occ(CC(=O)N3CCOCC3c3ncnn3C)c2cc1C(C)C
InChIInChI=1S/C21H26N4O3/c1-13(2)16-9-17-15(10-28-19(17)7-14(16)3)8-20(26)25-5-6-27-11-18(25)21-22-12-23-24(21)4/h7,9-10,12-13,18H,5-6,8,11H2,1-4H3
InChIKeyDWTWBBDDXIEXBJ-UHFFFAOYSA-N
XLogP3.14
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 99783135
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3924611
1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 56537953
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 55566568
1-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 128985521
2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid
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(5-bromo-2-methylfuran-3-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 136548638
1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol
CID 154756495
(3R)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 124854460
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 86933184
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 33461193
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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 126805862) is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is Cc1cc2occ(CC(=O)N3CCOCC3c3ncnn3C)c2cc1C(C)C.
What is the InChIKey of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is DWTWBBDDXIEXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13(2)16-9-17-15(10-28-19(17)7-14(16)3)8-20(26)25-5-6-27-11-18(25)21-22-12-23-24(21)4/h7,9-10,12-13,18H,5-6,8,11H2,1-4H3.
What are the key properties of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 126805862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).