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

C27H29ClN4O3 — CID 99744638

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

N-[(3-chlorophenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 99744638) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• PubChem CID: 99744638
• Molecular Formula: C27H29ClN4O3
• Molecular Weight: 493.01 g/mol
• Exact Mass: 492.19
• IUPAC Name: N-[(3-chlorophenyl)methyl]-1-[(6R)-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)NCc5cccc(Cl)c5)CC4)c3CO2)cc1
• InChI: InChI=1S/C27H29ClN4O3/c1-18-5-7-20(8-6-18)24-15-32-17-30-25(23(32)16-35-24)27(34)31-11-9-21(10-12-31)26(33)29-14-19-3-2-4-22(28)13-19/h2-8,13,17,21,24H,9-12,14-16H2,1H3,(H,29,33)/t24-/m0/s1
• InChIKey: JEYSHIQDVNZIOF-DEOSSOPVSA-N
• XLogP: 4.29
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.01
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 99744638) is N-[(3-chlorophenyl)methyl]-1-[(6R)-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-[(3-chlorophenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[(6R)-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)NCc5cccc(Cl)c5)CC4)c3CO2)cc1.

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

The InChIKey is JEYSHIQDVNZIOF-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-18-5-7-20(8-6-18)24-15-32-17-30-25(23(32)16-35-24)27(34)31-11-9-21(10-12-31)26(33)29-14-19-3-2-4-22(28)13-19/h2-8,13,17,21,24H,9-12,14-16H2,1H3,(H,29,33)/t24-/m0/s1.

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

N-[(3-chlorophenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 493.01 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 99744638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).