2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole

C48H38N6O8 — CID 159974072

About 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole

2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole (PubChem CID 159974072) has the molecular formula C48H38N6O8 and a molecular weight of 826.87 g/mol. Its IUPAC name is 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
• PubChem CID: 159974072
• Molecular Formula: C48H38N6O8
• Molecular Weight: 826.87 g/mol
• Exact Mass: 826.28
• IUPAC Name: 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
• SMILES: Cc1nnc(-c2cccc(OC3=NO[C@@H](c4ccc(Oc5ccccc5)cc4)C3)c2)o1.Cc1nnc(-c2cccc(OC3=NO[C@H](c4ccc(Oc5ccccc5)cc4)C3)c2)o1
• InChI: InChI=1S/2C24H19N3O4/c2*1-16-25-26-24(28-16)18-6-5-9-21(14-18)30-23-15-22(31-27-23)17-10-12-20(13-11-17)29-19-7-3-2-4-8-19/h2*2-14,22H,15H2,1H3/t2*22-/m10/s1
• InChIKey: OEXSEKCSJCFAMS-IKXJNKEISA-N
• XLogP: 11.38
• TPSA: 157.94 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	826.87
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole (CID 159974072) is 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole is Cc1nnc(-c2cccc(OC3=NO[C@@H](c4ccc(Oc5ccccc5)cc4)C3)c2)o1.Cc1nnc(-c2cccc(OC3=NO[C@H](c4ccc(Oc5ccccc5)cc4)C3)c2)o1.

What is the InChIKey of 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?

The InChIKey is OEXSEKCSJCFAMS-IKXJNKEISA-N. The full InChI is InChI=1S/2C24H19N3O4/c2*1-16-25-26-24(28-16)18-6-5-9-21(14-18)30-23-15-22(31-27-23)17-10-12-20(13-11-17)29-19-7-3-2-4-8-19/h2*2-14,22H,15H2,1H3/t2*22-/m10/s1.

What are the key properties of 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole?

2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 826.87 g/mol, XLogP of 11.38, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159974072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).