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

C24H25FN4O3S — CID 99756145

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

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 99756145) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 99756145
• Molecular Formula: C24H25FN4O3S
• Molecular Weight: 468.55 g/mol
• Exact Mass: 468.16
• IUPAC Name: 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
• SMILES: O=C(NCc1cccs1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1
• InChI: InChI=1S/C24H25FN4O3S/c25-18-5-3-16(4-6-18)21-13-29-15-27-22(20(29)14-32-21)24(31)28-9-7-17(8-10-28)23(30)26-12-19-2-1-11-33-19/h1-6,11,15,17,21H,7-10,12-14H2,(H,26,30)/t21-/m1/s1
• InChIKey: XJSWIJUBQZAWLN-OAQYLSRUSA-N
• XLogP: 3.52
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 99756145) is 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1.

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

The InChIKey is XJSWIJUBQZAWLN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c25-18-5-3-16(4-6-18)21-13-29-15-27-22(20(29)14-32-21)24(31)28-9-7-17(8-10-28)23(30)26-12-19-2-1-11-33-19/h1-6,11,15,17,21H,7-10,12-14H2,(H,26,30)/t21-/m1/s1.

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

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 99756145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).