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

C25H24F3N5O4 — CID 155924208

IUPAC2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide
SMILESCOc1nc2ccccc2cc1-c1cnc([C@H](CCCCCC(=O)c2ncco2)NC(=O)C(F)(F)F)[nH]1
InChIInChI=1S/C25H24F3N5O4/c1-36-22-16(13-15-7-5-6-8-17(15)32-22)19-14-30-21(31-19)18(33-24(35)25(26,27)28)9-3-2-4-10-20(34)23-29-11-12-37-23/h5-8,11-14,18H,2-4,9-10H2,1H3,(H,30,31)(H,33,35)/t18-/m0/s1
InChIKeyRLIFYSPSAPKRRI-SFHVURJKSA-N
MW515.49 g/mol
LogP5.17
Rot. Bonds11

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

2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide (PubChem CID 155924208) has the molecular formula C25H24F3N5O4 and a molecular weight of 515.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide
PubChem CID155924208
Molecular FormulaC25H24F3N5O4
Molecular Weight515.49 g/mol
Exact Mass515.18
IUPAC Name2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide
SMILESCOc1nc2ccccc2cc1-c1cnc([C@H](CCCCCC(=O)c2ncco2)NC(=O)C(F)(F)F)[nH]1
InChIInChI=1S/C25H24F3N5O4/c1-36-22-16(13-15-7-5-6-8-17(15)32-22)19-14-30-21(31-19)18(33-24(35)25(26,27)28)9-3-2-4-10-20(34)23-29-11-12-37-23/h5-8,11-14,18H,2-4,9-10H2,1H3,(H,30,31)(H,33,35)/t18-/m0/s1
InChIKeyRLIFYSPSAPKRRI-SFHVURJKSA-N
XLogP5.17
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide with MolForge

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Related Compounds

(S)-3-(dimethylamino)-N-(1-(5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)propanamide
CID 44158080
(7S)-7-amino-1-[5-(hydroxymethyl)-1,3-oxazol-2-yl]-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]heptan-1-one
CID 156021459
(7S)-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-[[2-(triazol-1-yl)acetyl]amino]heptanamide
CID 118453221
(E,6S)-N'-[1-[[4-[(2,4-difluorophenyl)methoxy]-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethyl-6-(1,3-oxazole-2-carbonylamino)hept-2-enediamide
CID 146348047
(7S)-7-amino-1-(1H-imidazol-2-yl)-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]heptan-1-one
CID 156013864
4-ethoxy-6-(4-fluorophenyl)-N-(oxazol-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine
CID 49773754
US12331044, Example 178
CID 148580707
US12331044, Example 141
CID 149343975
US12331044, Example 140
CID 149492749
(7S)-7-amino-7-[5-(5-fluoro-2-methoxy-4-pyridyl)-1H-imidazol-2-yl]-1-oxazol-2-yl-heptan-1-one
CID 150667856
US12331044, Example 181
CID 155924123
US12331044, Example 130
CID 155924149

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide (CID 155924208) is 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide is COc1nc2ccccc2cc1-c1cnc([C@H](CCCCCC(=O)c2ncco2)NC(=O)C(F)(F)F)[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide?
The InChIKey is RLIFYSPSAPKRRI-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24F3N5O4/c1-36-22-16(13-15-7-5-6-8-17(15)32-22)19-14-30-21(31-19)18(33-24(35)25(26,27)28)9-3-2-4-10-20(34)23-29-11-12-37-23/h5-8,11-14,18H,2-4,9-10H2,1H3,(H,30,31)(H,33,35)/t18-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide?
2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide has a molecular weight of 515.49 g/mol, XLogP of 5.17, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]acetamide is sourced from PubChem (CID 155924208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).