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

C20H21N3O3 — CID 20897201

IUPAC2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-20(2,3)15-9-11-16(12-10-15)25-13-17(24)21-19-22-18(26-23-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23,24)
InChIKeySYEJXNOQTRLDLV-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.05
Rot. Bonds5

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

2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 20897201) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID20897201
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-20(2,3)15-9-11-16(12-10-15)25-13-17(24)21-19-22-18(26-23-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23,24)
InChIKeySYEJXNOQTRLDLV-UHFFFAOYSA-N
XLogP4.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide
CID 39867782
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
CID 17013529
2-(2-methoxyphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897192
2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897204
N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266757
2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 39868087
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 20897224
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide (CID 20897201) is 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is SYEJXNOQTRLDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-20(2,3)15-9-11-16(12-10-15)25-13-17(24)21-19-22-18(26-23-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 4.05, 5 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-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 20897201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).