(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone

C17H17N3O5 — CID 40657737

IUPAC(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone
SMILESO=C([C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H17N3O5/c21-17(19-9-11-24-12-10-19)15(13-5-2-1-3-6-13)25-14-7-4-8-18-16(14)20(22)23/h1-8,15H,9-12H2/t15-/m0/s1
InChIKeyVAZPYOZOUCJNDL-HNNXBMFYSA-N
MW343.34 g/mol
LogP1.97
Rot. Bonds5

About (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone

(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone (PubChem CID 40657737) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone
PubChem CID40657737
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone
SMILESO=C([C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H17N3O5/c21-17(19-9-11-24-12-10-19)15(13-5-2-1-3-6-13)25-14-7-4-8-18-16(14)20(22)23/h1-8,15H,9-12H2/t15-/m0/s1
InChIKeyVAZPYOZOUCJNDL-HNNXBMFYSA-N
XLogP1.97
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-nitro-3-pyridinyl)oxy]-2-phenyl-1-piperidin-1-ylethanone
CID 40657752
(2R)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 40520630
(2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 8514682
(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7697246
(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
CID 7701309
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
2-(2-methoxy-4-methylphenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 17467186
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
1-(4-benzhydrylpiperazin-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 27027721
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-nitro-3-pyridinyl)oxy]propan-1-one
CID 42915347
4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethoxy]benzamide
CID 8639436
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-amino-3-nitrobenzoate
CID 7602121

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone (CID 40657737) is (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone is O=C([C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1)N1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone?
The InChIKey is VAZPYOZOUCJNDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-17(19-9-11-24-12-10-19)15(13-5-2-1-3-6-13)25-14-7-4-8-18-16(14)20(22)23/h1-8,15H,9-12H2/t15-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone?
(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone has a molecular weight of 343.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone is sourced from PubChem (CID 40657737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).