N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

C22H26F2N4O3 — CID 125127869

About N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 125127869) has the molecular formula C22H26F2N4O3 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• PubChem CID: 125127869
• Molecular Formula: C22H26F2N4O3
• Molecular Weight: 432.47 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• SMILES: Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(F)F)CC4)c3CO2)cc1
• InChI: InChI=1S/C22H26F2N4O3/c1-14-2-4-15(5-3-14)18-11-28-13-26-20(17(28)12-31-18)22(30)27-8-6-16(7-9-27)21(29)25-10-19(23)24/h2-5,13,16,18-19H,6-12H2,1H3,(H,25,29)/t18-/m1/s1
• InChIKey: QFBNQRGIDLWYPG-GOSISDBHSA-N
• XLogP: 2.70
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.47
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 125127869) is N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(F)F)CC4)c3CO2)cc1.

What is the InChIKey of N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The InChIKey is QFBNQRGIDLWYPG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26F2N4O3/c1-14-2-4-15(5-3-14)18-11-28-13-26-20(17(28)12-31-18)22(30)27-8-6-16(7-9-27)21(29)25-10-19(23)24/h2-5,13,16,18-19H,6-12H2,1H3,(H,25,29)/t18-/m1/s1.

What are the key properties of N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 125127869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).