(5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one

C25H27FN4O3 — CID 146317149

IUPAC(5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one
SMILESO=C1CC[C@@](CCCCCC(=O)c2ccon2)(c2ncc(-c3ccc(C4CC4)cc3F)[nH]2)N1
InChIInChI=1S/C25H27FN4O3/c26-19-14-17(16-5-6-16)7-8-18(19)21-15-27-24(28-21)25(12-9-23(32)29-25)11-3-1-2-4-22(31)20-10-13-33-30-20/h7-8,10,13-16H,1-6,9,11-12H2,(H,27,28)(H,29,32)/t25-/m0/s1
InChIKeyLTFPMFIGVLICCH-VWLOTQADSA-N
MW450.51 g/mol
LogP5.02
Rot. Bonds10

About (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one

(5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one (PubChem CID 146317149) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one
PubChem CID146317149
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name(5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one
SMILESO=C1CC[C@@](CCCCCC(=O)c2ccon2)(c2ncc(-c3ccc(C4CC4)cc3F)[nH]2)N1
InChIInChI=1S/C25H27FN4O3/c26-19-14-17(16-5-6-16)7-8-18(19)21-15-27-24(28-21)25(12-9-23(32)29-25)11-3-1-2-4-22(31)20-10-13-33-30-20/h7-8,10,13-16H,1-6,9,11-12H2,(H,27,28)(H,29,32)/t25-/m0/s1
InChIKeyLTFPMFIGVLICCH-VWLOTQADSA-N
XLogP5.02
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.51
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-isoxazol-3-yl-heptan-1-one
CID 146317418
N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-oxononyl]-1,2-oxazole-3-carboxamide
CID 162644726
N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide
CID 68616467
US11306078, Example 1.043
CID 141749044
N-[(1S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]carbamoyl]-3-oxo-3-pyrrolidin-1-yl-propyl]-5-methyl-isoxazole-3-carboxamide
CID 138545047
N-[(1S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamoyl]-3-[(2S)-2-methyl-1-piperidyl]-3-oxo-propyl]-5-methyl-isoxazole-3-carboxamide
CID 138545277
N-[(1S)-1-[[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamoyl]-3-[(2S)-2-methyl-1-piperidyl]-3-oxo-propyl]-5-methyl-isoxazole-3-carboxamide
CID 138545349
(7S)-7-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(6-isoxazol-3-yl-6-oxo-hexyl)azepan-2-one
CID 146317044

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one (CID 146317149) is (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one is O=C1CC[C@@](CCCCCC(=O)c2ccon2)(c2ncc(-c3ccc(C4CC4)cc3F)[nH]2)N1.
What is the InChIKey of (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one?
The InChIKey is LTFPMFIGVLICCH-VWLOTQADSA-N. The full InChI is InChI=1S/C25H27FN4O3/c26-19-14-17(16-5-6-16)7-8-18(19)21-15-27-24(28-21)25(12-9-23(32)29-25)11-3-1-2-4-22(31)20-10-13-33-30-20/h7-8,10,13-16H,1-6,9,11-12H2,(H,27,28)(H,29,32)/t25-/m0/s1.
What are the key properties of (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one?
(5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one has a molecular weight of 450.51 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[5-(4-cyclopropyl-2-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,2-oxazol-3-yl)-6-oxohexyl]pyrrolidin-2-one is sourced from PubChem (CID 146317149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).