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

C35H37N5O5 — CID 67374396

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 67374396) has the molecular formula C35H37N5O5 and a molecular weight of 607.71 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-pyrrolidin-1-yl-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-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 67374396
• Molecular Formula: C35H37N5O5
• Molecular Weight: 607.71 g/mol
• Exact Mass: 607.28
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(N2CCCC2)n1
• InChI: InChI=1S/C35H37N5O5/c1-4-36-34(41)31-30(33-37-35(45-39-33)40-17-11-12-18-40)32(44-38-31)27-19-26(23(2)3)28(42-21-24-13-7-5-8-14-24)20-29(27)43-22-25-15-9-6-10-16-25/h5-10,13-16,19-20,23H,4,11-12,17-18,21-22H2,1-3H3,(H,36,41)
• InChIKey: PBHFPAKYQVDHIQ-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 115.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.71
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-pyrrolidin-1-yl-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-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (CID 67374396) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-pyrrolidin-1-yl-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-pyrrolidin-1-yl-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-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(N2CCCC2)n1.

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

The InChIKey is PBHFPAKYQVDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O5/c1-4-36-34(41)31-30(33-37-35(45-39-33)40-17-11-12-18-40)32(44-38-31)27-19-26(23(2)3)28(42-21-24-13-7-5-8-14-24)20-29(27)43-22-25-15-9-6-10-16-25/h5-10,13-16,19-20,23H,4,11-12,17-18,21-22H2,1-3H3,(H,36,41).

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 607.71 g/mol, XLogP of 7.02, 12 rotatable bonds, 1 hydrogen bond donors, and 9 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-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).