2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide

C23H28FN5O3 — CID 155924246

IUPAC2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
SMILESCN(C)CC(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C23H28FN5O3/c1-29(2)15-22(31)26-19(10-4-3-5-11-21(30)18-12-13-32-28-18)23-25-14-20(27-23)16-8-6-7-9-17(16)24/h6-9,12-14,19H,3-5,10-11,15H2,1-2H3,(H,25,27)(H,26,31)/t19-/m0/s1
InChIKeyLIFSXYRTQZMHIJ-IBGZPJMESA-N
MW441.51 g/mol
LogP3.76
Rot. Bonds12

About 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide

2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide (PubChem CID 155924246) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
PubChem CID155924246
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
SMILESCN(C)CC(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C23H28FN5O3/c1-29(2)15-22(31)26-19(10-4-3-5-11-21(30)18-12-13-32-28-18)23-25-14-20(27-23)16-8-6-7-9-17(16)24/h6-9,12-14,19H,3-5,10-11,15H2,1-2H3,(H,25,27)(H,26,31)/t19-/m0/s1
InChIKeyLIFSXYRTQZMHIJ-IBGZPJMESA-N
XLogP3.76
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide
CID 138545235
Hdac-IN-26
CID 146317294
US12331044, Example 59
CID 155925379
3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl}(hydroxy)phosphoryl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid
CID 91895994
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138545006
N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138545112
5-methyl-N-[(2S)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide
CID 138545265
(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-isoxazol-3-yl-heptan-1-one
CID 146317418
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 2971764
N4-(3-isoxazolyl)-N5-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
CID 42628367
N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-oxononyl]-1,2-oxazole-3-carboxamide
CID 162644726

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide (CID 155924246) is 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide is CN(C)CC(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The InChIKey is LIFSXYRTQZMHIJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-29(2)15-22(31)26-19(10-4-3-5-11-21(30)18-12-13-32-28-18)23-25-14-20(27-23)16-8-6-7-9-17(16)24/h6-9,12-14,19H,3-5,10-11,15H2,1-2H3,(H,25,27)(H,26,31)/t19-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 3.76, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide is sourced from PubChem (CID 155924246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).