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

C27H29FN4O4 — CID 99744508

About 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

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 (PubChem CID 99744508) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 99744508
• Molecular Formula: C27H29FN4O4
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.22
• IUPAC Name: 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
• SMILES: COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)Nc5ccc(F)c(C)c5)CC4)c3CO2)cc1
• InChI: InChI=1S/C27H29FN4O4/c1-17-13-20(5-8-22(17)28)30-26(33)19-9-11-31(12-10-19)27(34)25-23-15-36-24(14-32(23)16-29-25)18-3-6-21(35-2)7-4-18/h3-8,13,16,19,24H,9-12,14-15H2,1-2H3,(H,30,33)/t24-/m0/s1
• InChIKey: ZQTIPKVMBVLLOJ-DEOSSOPVSA-N
• XLogP: 4.10
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)Nc5ccc(F)c(C)c5)CC4)c3CO2)cc1.

What is the InChIKey of 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?

The InChIKey is ZQTIPKVMBVLLOJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H29FN4O4/c1-17-13-20(5-8-22(17)28)30-26(33)19-9-11-31(12-10-19)27(34)25-23-15-36-24(14-32(23)16-29-25)18-3-6-21(35-2)7-4-18/h3-8,13,16,19,24H,9-12,14-15H2,1-2H3,(H,30,33)/t24-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 492.55 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 99744508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).