2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide

C17H23N5O3 — CID 96997026

IUPAC2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide
SMILESCCc1nc([C@@H]2CN(Cc3cccc(OCC(N)=O)c3)CCO2)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-2-16-19-17(21-20-16)14-10-22(6-7-24-14)9-12-4-3-5-13(8-12)25-11-15(18)23/h3-5,8,14H,2,6-7,9-11H2,1H3,(H2,18,23)(H,19,20,21)/t14-/m0/s1
InChIKeyWLDQWAQCIGRZQU-AWEZNQCLSA-N
MW345.40 g/mol
LogP0.80
Rot. Bonds7

About 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide

2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide (PubChem CID 96997026) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide
PubChem CID96997026
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide
SMILESCCc1nc([C@@H]2CN(Cc3cccc(OCC(N)=O)c3)CCO2)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-2-16-19-17(21-20-16)14-10-22(6-7-24-14)9-12-4-3-5-13(8-12)25-11-15(18)23/h3-5,8,14H,2,6-7,9-11H2,1H3,(H2,18,23)(H,19,20,21)/t14-/m0/s1
InChIKeyWLDQWAQCIGRZQU-AWEZNQCLSA-N
XLogP0.80
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide with MolForge

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Related Compounds

4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 71928122
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028
2-[2-methoxy-4-[[(2R)-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]methyl]phenoxy]acetamide
CID 124981115
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 96997039
4-[2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 96996849
2-[2-methoxy-4-[[(2S)-2-[6-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methyl]phenoxy]acetamide
CID 125013560
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97059653
2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 95415223
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide (CID 96997026) is 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide is CCc1nc([C@@H]2CN(Cc3cccc(OCC(N)=O)c3)CCO2)n[nH]1.
What is the InChIKey of 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide?
The InChIKey is WLDQWAQCIGRZQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-2-16-19-17(21-20-16)14-10-22(6-7-24-14)9-12-4-3-5-13(8-12)25-11-15(18)23/h3-5,8,14H,2,6-7,9-11H2,1H3,(H2,18,23)(H,19,20,21)/t14-/m0/s1.
What are the key properties of 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide?
2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 96997026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).