3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one

C26H27FN4O4 — CID 123949987

IUPAC3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOC1CN(C(=O)c2cncn2Cc2ccccc2-c2ccc(F)cc2)CCC1N1CCOC1=O
InChIInChI=1S/C26H27FN4O4/c1-34-24-16-29(11-10-22(24)31-12-13-35-26(31)33)25(32)23-14-28-17-30(23)15-19-4-2-3-5-21(19)18-6-8-20(27)9-7-18/h2-9,14,17,22,24H,10-13,15-16H2,1H3
InChIKeyFPRYBDBVCUOVQB-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.42
Rot. Bonds6

About 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 123949987) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID123949987
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOC1CN(C(=O)c2cncn2Cc2ccccc2-c2ccc(F)cc2)CCC1N1CCOC1=O
InChIInChI=1S/C26H27FN4O4/c1-34-24-16-29(11-10-22(24)31-12-13-35-26(31)33)25(32)23-14-28-17-30(23)15-19-4-2-3-5-21(19)18-6-8-20(27)9-7-18/h2-9,14,17,22,24H,10-13,15-16H2,1H3
InChIKeyFPRYBDBVCUOVQB-UHFFFAOYSA-N
XLogP3.42
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone
CID 73346314
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone
CID 73352407
[4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 162669860
US10858362, Example 17
CID 122652218
US10858362, Example 29
CID 122652263
US10858362, Example 24
CID 122652282
US10858362, Example 28
CID 122652291
US10858362, Example 54
CID 122652310
US10858362, Example 5
CID 122652328
US10858362, Example 2
CID 122652351
US10912773, Example 31-isomer-1
CID 122652353
US10858362, Example 36, isomer 1
CID 122652377

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one (CID 123949987) is 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one is COC1CN(C(=O)c2cncn2Cc2ccccc2-c2ccc(F)cc2)CCC1N1CCOC1=O.
What is the InChIKey of 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is FPRYBDBVCUOVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-34-24-16-29(11-10-22(24)31-12-13-35-26(31)33)25(32)23-14-28-17-30(23)15-19-4-2-3-5-21(19)18-6-8-20(27)9-7-18/h2-9,14,17,22,24H,10-13,15-16H2,1H3.
What are the key properties of 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 478.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazole-4-carbonyl]-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123949987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).