2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

C26H25N3O3 — CID 2290497

IUPAC2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C26H25N3O3/c1-26(2,3)20-11-15-22(16-12-20)31-17-23(30)27-21-13-9-19(10-14-21)25-29-28-24(32-25)18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,27,30)
InChIKeyHFXZBOBCHVPSOR-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.72
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 2290497) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID2290497
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C26H25N3O3/c1-26(2,3)20-11-15-22(16-12-20)31-17-23(30)27-21-13-9-19(10-14-21)25-29-28-24(32-25)18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,27,30)
InChIKeyHFXZBOBCHVPSOR-UHFFFAOYSA-N
XLogP5.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 2290497) is 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is HFXZBOBCHVPSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-26(2,3)20-11-15-22(16-12-20)31-17-23(30)27-21-13-9-19(10-14-21)25-29-28-24(32-25)18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,27,30).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 427.50 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 2290497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).