1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C18H23N5O2 — CID 97059653

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCc1nc([C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)n[nH]1
InChIInChI=1S/C18H23N5O2/c1-2-16-19-18(21-20-16)15-11-22(9-10-25-15)12-17(24)23-8-7-13-5-3-4-6-14(13)23/h3-6,15H,2,7-12H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyXTIXHTBRLVWXPA-OAHLLOKOSA-N
MW341.42 g/mol
LogP1.33
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 97059653) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID97059653
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCc1nc([C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)n[nH]1
InChIInChI=1S/C18H23N5O2/c1-2-16-19-18(21-20-16)15-11-22(9-10-25-15)12-17(24)23-8-7-13-5-3-4-6-14(13)23/h3-6,15H,2,7-12H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyXTIXHTBRLVWXPA-OAHLLOKOSA-N
XLogP1.33
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone
CID 163309338
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CID 36732041
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
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 124754682
[(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
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1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 96997039
(3S)-1-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96996811
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 71062530
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 97059653) is 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is CCc1nc([C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)n[nH]1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is XTIXHTBRLVWXPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-16-19-18(21-20-16)15-11-22(9-10-25-15)12-17(24)23-8-7-13-5-3-4-6-14(13)23/h3-6,15H,2,7-12H2,1H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 341.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97059653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).