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

C26H27ClN4O4 — CID 99744498

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

N-(3-chlorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 99744498) has the molecular formula C26H27ClN4O4 and a molecular weight of 494.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-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-(3-chlorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• PubChem CID: 99744498
• Molecular Formula: C26H27ClN4O4
• Molecular Weight: 494.98 g/mol
• Exact Mass: 494.17
• IUPAC Name: N-(3-chlorophenyl)-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)Nc5cccc(Cl)c5)CC4)c3CO2)cc1
• InChI: InChI=1S/C26H27ClN4O4/c1-34-21-7-5-17(6-8-21)23-14-31-16-28-24(22(31)15-35-23)26(33)30-11-9-18(10-12-30)25(32)29-20-4-2-3-19(27)13-20/h2-8,13,16,18,23H,9-12,14-15H2,1H3,(H,29,32)/t23-/m0/s1
• InChIKey: MUKSGNBTOWAWAQ-QHCPKHFHSA-N
• XLogP: 4.31
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.98
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-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-(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) is N-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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)Nc5cccc(Cl)c5)CC4)c3CO2)cc1.

What is the InChIKey of N-(3-chlorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The InChIKey is MUKSGNBTOWAWAQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27ClN4O4/c1-34-21-7-5-17(6-8-21)23-14-31-16-28-24(22(31)15-35-23)26(33)30-11-9-18(10-12-30)25(32)29-20-4-2-3-19(27)13-20/h2-8,13,16,18,23H,9-12,14-15H2,1H3,(H,29,32)/t23-/m0/s1.

What are the key properties of N-(3-chlorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

N-(3-chlorophenyl)-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 494.98 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-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 99744498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).