N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide

C25H25FN4O3 — CID 91917187

IUPACN-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C25H25FN4O3/c26-19-7-4-8-20(13-19)28-24(31)18-9-11-29(12-10-18)25(32)23-21-15-33-22(14-30(21)16-27-23)17-5-2-1-3-6-17/h1-8,13,16,18,22H,9-12,14-15H2,(H,28,31)
InChIKeyLLPOVEIEUPRWHP-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.78
Rot. Bonds4

About N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide

N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 91917187) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
PubChem CID91917187
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C25H25FN4O3/c26-19-7-4-8-20(13-19)28-24(31)18-9-11-29(12-10-18)25(32)23-21-15-33-22(14-30(21)16-27-23)17-5-2-1-3-6-17/h1-8,13,16,18,22H,9-12,14-15H2,(H,28,31)
InChIKeyLLPOVEIEUPRWHP-UHFFFAOYSA-N
XLogP3.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889662
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 91894813
N-[(3-fluorophenyl)methyl]-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744261
N-(3-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91889644
N-cyclopropyl-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744253
N-[(2-chloro-4-fluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91889498
N-(3-chlorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744498
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99748402
N-(3,4-difluorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744494
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide
CID 91894808
N-(4-fluoro-3-methylphenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744508
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 91889502

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (CID 91917187) is N-(3-fluorophenyl)-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-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is LLPOVEIEUPRWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c26-19-7-4-8-20(13-19)28-24(31)18-9-11-29(12-10-18)25(32)23-21-15-33-22(14-30(21)16-27-23)17-5-2-1-3-6-17/h1-8,13,16,18,22H,9-12,14-15H2,(H,28,31).
What are the key properties of N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91917187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).