1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C21H21FN4O3 — CID 124951977

IUPAC1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1
InChIInChI=1S/C21H21FN4O3/c1-14-19(25-29-24-14)12-21(27)26-9-10-28-20(13-26)18-4-2-3-17(23-18)11-15-5-7-16(22)8-6-15/h2-8,20H,9-13H2,1H3/t20-/m0/s1
InChIKeyDLCCYSVBWYNNRW-FQEVSTJZSA-N
MW396.42 g/mol
LogP2.65
Rot. Bonds5

About 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 124951977) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
PubChem CID124951977
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1
InChIInChI=1S/C21H21FN4O3/c1-14-19(25-29-24-14)12-21(27)26-9-10-28-20(13-26)18-4-2-3-17(23-18)11-15-5-7-16(22)8-6-15/h2-8,20H,9-13H2,1H3/t20-/m0/s1
InChIKeyDLCCYSVBWYNNRW-FQEVSTJZSA-N
XLogP2.65
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250000
1-[2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 127250792
3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 132772651
[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 124970106
1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124944446
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 127250033
2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 125005496
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one
CID 127250123
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 125007892

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 124951977) is 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1nonc1CC(=O)N1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The InChIKey is DLCCYSVBWYNNRW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-14-19(25-29-24-14)12-21(27)26-9-10-28-20(13-26)18-4-2-3-17(23-18)11-15-5-7-16(22)8-6-15/h2-8,20H,9-13H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 396.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 124951977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).