N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide

C26H26F2N4O3 — CID 91889518

IUPACN-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C26H26F2N4O3/c27-20-6-7-21(28)19(12-20)13-29-25(33)18-8-10-31(11-9-18)26(34)24-22-15-35-23(14-32(22)16-30-24)17-4-2-1-3-5-17/h1-7,12,16,18,23H,8-11,13-15H2,(H,29,33)
InChIKeyIHFWUQAVNUKSDL-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.60
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide

N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 91889518) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
PubChem CID91889518
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C26H26F2N4O3/c27-20-6-7-21(28)19(12-20)13-29-25(33)18-8-10-31(11-9-18)26(34)24-22-15-35-23(14-32(22)16-30-24)17-4-2-1-3-5-17/h1-7,12,16,18,23H,8-11,13-15H2,(H,29,33)
InChIKeyIHFWUQAVNUKSDL-UHFFFAOYSA-N
XLogP3.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

[(1R)-1-phenylethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazole-5-carboxylate
CID 42628383
tert-butyl 4-[5-[(1S)-1-phenylethoxy]carbonyl-1H-imidazole-4-carbonyl]piperazine-1-carboxylate
CID 42628387
N-[(4-Fluorophenyl)methyl]-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
CID 91889493
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[(furan-2-YL)methyl]piperidine-4-carboxamide
CID 91889538
N-(3-Chloro-4-fluorophenyl)-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
CID 91889643
N-(4-Chlorophenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889667
[(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
CID 42628384
benzyl 4-[[(1R)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate
CID 42628390
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 91889520
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 91889534
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[4-(propan-2-YL)phenyl]piperidine-4-carboxamide
CID 91889652
"N-(3-fluoro-4-methylphenyl)-1-{[6-(4-methoxyphenyl)-5,6-dihydro-8H-imidazo[5,1-c][1,4]oxazin-1-yl]carbonyl}-4-piperidinecarboxamide"
CID 91889692

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (CID 91889518) is N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is O=C(NCc1cc(F)ccc1F)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is IHFWUQAVNUKSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c27-20-6-7-21(28)19(12-20)13-29-25(33)18-8-10-31(11-9-18)26(34)24-22-15-35-23(14-32(22)16-30-24)17-4-2-1-3-5-17/h1-7,12,16,18,23H,8-11,13-15H2,(H,29,33).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).