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

C34H36N4O5 — CID 67374803

IUPAC5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C(C)C)n1
InChIInChI=1S/C34H36N4O5/c1-6-35-33(39)30-29(32-36-34(22(4)5)43-38-32)31(42-37-30)26-17-25(21(2)3)27(40-19-23-13-9-7-10-14-23)18-28(26)41-20-24-15-11-8-12-16-24/h7-18,21-22H,6,19-20H2,1-5H3,(H,35,39)
InChIKeyZRNILNWHQOHYAT-UHFFFAOYSA-N
MW580.69 g/mol
LogP7.55
Rot. Bonds12

About 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-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-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 67374803) has the molecular formula C34H36N4O5 and a molecular weight of 580.69 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID67374803
Molecular FormulaC34H36N4O5
Molecular Weight580.69 g/mol
Exact Mass580.27
IUPAC Name5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(C(C)C)n1
InChIInChI=1S/C34H36N4O5/c1-6-35-33(39)30-29(32-36-34(22(4)5)43-38-32)31(42-37-30)26-17-25(21(2)3)27(40-19-23-13-9-7-10-14-23)18-28(26)41-20-24-15-11-8-12-16-24/h7-18,21-22H,6,19-20H2,1-5H3,(H,35,39)
InChIKeyZRNILNWHQOHYAT-UHFFFAOYSA-N
XLogP7.55
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-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-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (CID 67374803) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-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-propan-2-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-propan-2-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(C(C)C)n1.
What is the InChIKey of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZRNILNWHQOHYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O5/c1-6-35-33(39)30-29(32-36-34(22(4)5)43-38-32)31(42-37-30)26-17-25(21(2)3)27(40-19-23-13-9-7-10-14-23)18-28(26)41-20-24-15-11-8-12-16-24/h7-18,21-22H,6,19-20H2,1-5H3,(H,35,39).
What are the key properties of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-propan-2-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-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 580.69 g/mol, XLogP of 7.55, 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-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).