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

C32H29F3N4O5 — CID 67374967

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 67374967) has the molecular formula C32H29F3N4O5 and a molecular weight of 606.60 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 67374967
• Molecular Formula: C32H29F3N4O5
• Molecular Weight: 606.60 g/mol
• Exact Mass: 606.21
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C(F)(F)F)n1
• InChI: InChI=1S/C32H29F3N4O5/c1-4-36-30(40)27-26(29-37-31(44-39-29)32(33,34)35)28(43-38-27)23-15-22(19(2)3)24(41-17-20-11-7-5-8-12-20)16-25(23)42-18-21-13-9-6-10-14-21/h5-16,19H,4,17-18H2,1-3H3,(H,36,40)
• InChIKey: GSKMVCHLXXDIDK-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 112.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.60
LogP ≤ 5	7.44
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-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide (CID 67374967) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C(F)(F)F)n1.

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

The InChIKey is GSKMVCHLXXDIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F3N4O5/c1-4-36-30(40)27-26(29-37-31(44-39-29)32(33,34)35)28(43-38-27)23-15-22(19(2)3)24(41-17-20-11-7-5-8-12-20)16-25(23)42-18-21-13-9-6-10-14-21/h5-16,19H,4,17-18H2,1-3H3,(H,36,40).

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 606.60 g/mol, XLogP of 7.44, 11 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-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).