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

C21H22N2O3 — CID 17013529

IUPAC2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C21H22N2O3/c1-21(2,3)16-9-11-17(12-10-16)25-14-19(24)22-20-13-18(23-26-20)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyDLNFLCBJANFPSC-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.66
Rot. Bonds5

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

2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide (PubChem CID 17013529) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
PubChem CID17013529
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C21H22N2O3/c1-21(2,3)16-9-11-17(12-10-16)25-14-19(24)22-20-13-18(23-26-20)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyDLNFLCBJANFPSC-UHFFFAOYSA-N
XLogP4.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897201
2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 38903544
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 56530016
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 17014686
4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene
CID 160707197
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 38906083
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide (CID 17013529) is 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is DLNFLCBJANFPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-21(2,3)16-9-11-17(12-10-16)25-14-19(24)22-20-13-18(23-26-20)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 17013529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).