2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide

C22H22N2O4 — CID 38903544

IUPAC2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)on1
InChIInChI=1S/C22H22N2O4/c1-22(2,3)18-13-20(28-24-18)23-19(25)14-27-17-11-9-16(10-12-17)21(26)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,23,25)
InChIKeyMYGGWGZQIKGNGI-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.22
Rot. Bonds6

About 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide

2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (PubChem CID 38903544) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
PubChem CID38903544
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)on1
InChIInChI=1S/C22H22N2O4/c1-22(2,3)18-13-20(28-24-18)23-19(25)14-27-17-11-9-16(10-12-17)21(26)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,23,25)
InChIKeyMYGGWGZQIKGNGI-UHFFFAOYSA-N
XLogP4.22
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 38906083
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
CID 17013529
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754882
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 18227468
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 75435846
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8549689
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
CID 18087249
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8695068

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (CID 38903544) is 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is CC(C)(C)c1cc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)on1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is MYGGWGZQIKGNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-22(2,3)18-13-20(28-24-18)23-19(25)14-27-17-11-9-16(10-12-17)21(26)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 38903544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).