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

C26H27ClN4O3 — CID 99744414

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

N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 99744414) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• PubChem CID: 99744414
• Molecular Formula: C26H27ClN4O3
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.18
• IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
• SMILES: O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1
• InChI: InChI=1S/C26H27ClN4O3/c27-21-9-5-4-8-20(21)14-28-25(32)19-10-12-30(13-11-19)26(33)24-22-16-34-23(15-31(22)17-29-24)18-6-2-1-3-7-18/h1-9,17,19,23H,10-16H2,(H,28,32)/t23-/m1/s1
• InChIKey: DBDKVQYCYDFZBR-HSZRJFAPSA-N
• XLogP: 3.98
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 99744414) is N-[(2-chlorophenyl)methyl]-1-[(6S)-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-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1.

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

The InChIKey is DBDKVQYCYDFZBR-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c27-21-9-5-4-8-20(21)14-28-25(32)19-10-12-30(13-11-19)26(33)24-22-16-34-23(15-31(22)17-29-24)18-6-2-1-3-7-18/h1-9,17,19,23H,10-16H2,(H,28,32)/t23-/m1/s1.

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

N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 99744414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).