5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide

C37H34N4O5 — CID 67374238

About 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 67374238) has the molecular formula C37H34N4O5 and a molecular weight of 614.70 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 67374238
• Molecular Formula: C37H34N4O5
• Molecular Weight: 614.70 g/mol
• Exact Mass: 614.25
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(-c2ccccc2)n1
• InChI: InChI=1S/C37H34N4O5/c1-4-38-36(42)33-32(35-39-37(46-41-35)27-18-12-7-13-19-27)34(45-40-33)29-20-28(24(2)3)30(43-22-25-14-8-5-9-15-25)21-31(29)44-23-26-16-10-6-11-17-26/h5-21,24H,4,22-23H2,1-3H3,(H,38,42)
• InChIKey: BPBNKXOOSAZGAR-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 112.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.70
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (CID 67374238) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(-c2ccccc2)n1.

What is the InChIKey of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide?

The InChIKey is BPBNKXOOSAZGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N4O5/c1-4-38-36(42)33-32(35-39-37(46-41-35)27-18-12-7-13-19-27)34(45-40-33)29-20-28(24(2)3)30(43-22-25-14-8-5-9-15-25)21-31(29)44-23-26-16-10-6-11-17-26/h5-21,24H,4,22-23H2,1-3H3,(H,38,42).

What are the key properties of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide?

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 614.70 g/mol, XLogP of 8.09, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).