N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C24H21N3O4 — CID 55674879

IUPACN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cn1
InChIInChI=1S/C24H21N3O4/c1-16-8-10-20(21(12-16)29-2)31-23-11-9-18(14-25-23)26-22(28)13-19-15-30-24(27-19)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3,(H,26,28)
InChIKeyIHCGAPXMOBQCQD-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.03
Rot. Bonds7

About N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 55674879) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID55674879
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cn1
InChIInChI=1S/C24H21N3O4/c1-16-8-10-20(21(12-16)29-2)31-23-11-9-18(14-25-23)26-22(28)13-19-15-30-24(27-19)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3,(H,26,28)
InChIKeyIHCGAPXMOBQCQD-UHFFFAOYSA-N
XLogP5.03
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide with MolForge

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803649
2-(2,4-dimethylquinolin-3-yl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 36551375
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide
CID 35819755
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427770
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048
N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427929
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55674821
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 55674879) is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is COc1cc(C)ccc1Oc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cn1.
What is the InChIKey of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is IHCGAPXMOBQCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16-8-10-20(21(12-16)29-2)31-23-11-9-18(14-25-23)26-22(28)13-19-15-30-24(27-19)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3,(H,26,28).
What are the key properties of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 415.45 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 55674879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).