[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone

C17H19FN4O3 — CID 96996797

IUPAC[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESCCc1nc([C@H]2CN(C(=O)[C@@H]3Cc4cccc(F)c4O3)CCO2)n[nH]1
InChIInChI=1S/C17H19FN4O3/c1-2-14-19-16(21-20-14)13-9-22(6-7-24-13)17(23)12-8-10-4-3-5-11(18)15(10)25-12/h3-5,12-13H,2,6-9H2,1H3,(H,19,20,21)/t12-,13+/m0/s1
InChIKeyYOSGXRGXROJCFT-QWHCGFSZSA-N
MW346.36 g/mol
LogP1.41
Rot. Bonds3

About [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone

[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone (PubChem CID 96996797) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
PubChem CID96996797
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESCCc1nc([C@H]2CN(C(=O)[C@@H]3Cc4cccc(F)c4O3)CCO2)n[nH]1
InChIInChI=1S/C17H19FN4O3/c1-2-14-19-16(21-20-14)13-9-22(6-7-24-13)17(23)12-8-10-4-3-5-11(18)15(10)25-12/h3-5,12-13H,2,6-9H2,1H3,(H,19,20,21)/t12-,13+/m0/s1
InChIKeyYOSGXRGXROJCFT-QWHCGFSZSA-N
XLogP1.41
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone with MolForge

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Related Compounds

[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059556
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 129490669
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone
CID 97059542
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
CID 71928774
2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872781
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 96996747
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
[(1R,2S)-2-cyclohexylcyclopropyl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129425416

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The IUPAC name of [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone (CID 96996797) is [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The canonical SMILES for [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone is CCc1nc([C@H]2CN(C(=O)[C@@H]3Cc4cccc(F)c4O3)CCO2)n[nH]1.
What is the InChIKey of [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The InChIKey is YOSGXRGXROJCFT-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-2-14-19-16(21-20-14)13-9-22(6-7-24-13)17(23)12-8-10-4-3-5-11(18)15(10)25-12/h3-5,12-13H,2,6-9H2,1H3,(H,19,20,21)/t12-,13+/m0/s1.
What are the key properties of [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone?
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone has a molecular weight of 346.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 96996797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).