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

C26H26F2N4O3 — CID 91889494

IUPACN-[(2,4-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C26H26F2N4O3/c27-20-7-6-19(21(28)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)
InChIKeyFBUFWLOYUGRSOP-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.60
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 91889494) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[(2,4-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-[(2,4-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
PubChem CID91889494
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C26H26F2N4O3/c27-20-7-6-19(21(28)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)
InChIKeyFBUFWLOYUGRSOP-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-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-[(2,4-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (CID 91889494) is N-[(2,4-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-[(2,4-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-[(2,4-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1F)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is FBUFWLOYUGRSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c27-20-7-6-19(21(28)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-[(2,4-difluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
N-[(2,4-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-[(2,4-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 91889494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).