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

C26H27ClN4O4 — CID 91889644

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

N-(3-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 91889644) has the molecular formula C26H27ClN4O4 and a molecular weight of 494.98 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
• PubChem CID: 91889644
• Molecular Formula: C26H27ClN4O4
• Molecular Weight: 494.98 g/mol
• Exact Mass: 494.17
• IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
• SMILES: COc1ccc(NC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccccc3)C4)CC2)cc1Cl
• InChI: InChI=1S/C26H27ClN4O4/c1-34-22-8-7-19(13-20(22)27)29-25(32)18-9-11-30(12-10-18)26(33)24-21-15-35-23(14-31(21)16-28-24)17-5-3-2-4-6-17/h2-8,13,16,18,23H,9-12,14-15H2,1H3,(H,29,32)
• InChIKey: GTUSIZNGLRFJNC-UHFFFAOYSA-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-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (CID 91889644) is N-(3-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccccc3)C4)CC2)cc1Cl.

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

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

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

N-(3-chloro-4-methoxyphenyl)-1-(6-phenyl-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-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).