(6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

C28H24N4O4 — CID 125127722

About (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

(6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 125127722) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

• Compound Name: (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
• PubChem CID: 125127722
• Molecular Formula: C28H24N4O4
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.18
• IUPAC Name: (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
• SMILES: COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(OCc6ccccc6)cc5)no4)c3CO2)cc1
• InChI: InChI=1S/C28H24N4O4/c1-33-22-11-7-20(8-12-22)25-15-32-18-29-26(24(32)17-35-25)28-30-27(31-36-28)21-9-13-23(14-10-21)34-16-19-5-3-2-4-6-19/h2-14,18,25H,15-17H2,1H3/t25-/m1/s1
• InChIKey: OZLIMYROJSZIBQ-RUZDIDTESA-N
• XLogP: 5.46
• TPSA: 84.43 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?

The IUPAC name of (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 125127722) is (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

What is the SMILES notation for (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?

The canonical SMILES for (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(OCc6ccccc6)cc5)no4)c3CO2)cc1.

What is the InChIKey of (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?

The InChIKey is OZLIMYROJSZIBQ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H24N4O4/c1-33-22-11-7-20(8-12-22)25-15-32-18-29-26(24(32)17-35-25)28-30-27(31-36-28)21-9-13-23(14-10-21)34-16-19-5-3-2-4-6-19/h2-14,18,25H,15-17H2,1H3/t25-/m1/s1.

What are the key properties of (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?

(6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 480.52 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 125127722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).