bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole

C44H34N2O10 — CID 159921333

About bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole

bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 159921333) has the molecular formula C44H34N2O10 and a molecular weight of 750.76 g/mol. Its IUPAC name is bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

• Compound Name: bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
• PubChem CID: 159921333
• Molecular Formula: C44H34N2O10
• Molecular Weight: 750.76 g/mol
• Exact Mass: 750.22
• IUPAC Name: bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
• SMILES: O=C=O.O=C=O.c1ccc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)cc1.c1ccc(OC2=NO[C@H](c3ccc(Oc4ccccc4)cc3)C2)cc1
• InChI: InChI=1S/2C21H17NO3.2CO2/c2*1-3-7-17(8-4-1)23-19-13-11-16(12-14-19)20-15-21(22-25-20)24-18-9-5-2-6-10-18;2*2-1-3/h2*1-14,20H,15H2;;/t2*20-;;/m10../s1
• InChIKey: NYKXXIUMWCLOLB-FCXQHQNUSA-N
• XLogP: 9.50
• TPSA: 148.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	750.76
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?

The IUPAC name of bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 159921333) is bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole.

What is the SMILES notation for bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?

The canonical SMILES for bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole is O=C=O.O=C=O.c1ccc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)cc1.c1ccc(OC2=NO[C@H](c3ccc(Oc4ccccc4)cc3)C2)cc1.

What is the InChIKey of bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?

The InChIKey is NYKXXIUMWCLOLB-FCXQHQNUSA-N. The full InChI is InChI=1S/2C21H17NO3.2CO2/c2*1-3-7-17(8-4-1)23-19-13-11-16(12-14-19)20-15-21(22-25-20)24-18-9-5-2-6-10-18;2*2-1-3/h2*1-14,20H,15H2;;/t2*20-;;/m10../s1.

What are the key properties of bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?

bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 750.76 g/mol, XLogP of 9.50, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 159921333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).