2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone

C17H21N3O3 — CID 124978039

IUPAC2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCO[C@H](c3ncc(C)[nH]3)C2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-10-18-17(19-12)15-11-20(7-8-23-15)16(21)9-13-3-5-14(22-2)6-4-13/h3-6,10,15H,7-9,11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyLQXYELCCUWBEBL-HNNXBMFYSA-N
MW315.37 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone

2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 124978039) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
PubChem CID124978039
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCO[C@H](c3ncc(C)[nH]3)C2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-10-18-17(19-12)15-11-20(7-8-23-15)16(21)9-13-3-5-14(22-2)6-4-13/h3-6,10,15H,7-9,11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyLQXYELCCUWBEBL-HNNXBMFYSA-N
XLogP1.87
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 124995684
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105208
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
2-(4-fluorophenoxy)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone;formic acid
CID 171688308
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 125008071
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 124953608
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 125012194
2-(4-methoxyphenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110104413
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124955488
2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
CID 110364120

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone (CID 124978039) is 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone is COc1ccc(CC(=O)N2CCO[C@H](c3ncc(C)[nH]3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is LQXYELCCUWBEBL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-10-18-17(19-12)15-11-20(7-8-23-15)16(21)9-13-3-5-14(22-2)6-4-13/h3-6,10,15H,7-9,11H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 315.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 124978039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).