N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide

C26H23N3O4 — CID 55405796

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C26H23N3O4/c1-17-12-13-18(2)22(14-17)32-16-24(30)28-29-25(31)20-10-6-7-11-21(20)26-27-15-23(33-26)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyDYKYNCWGTHXPFP-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.47
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide (PubChem CID 55405796) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide
PubChem CID55405796
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C26H23N3O4/c1-17-12-13-18(2)22(14-17)32-16-24(30)28-29-25(31)20-10-6-7-11-21(20)26-27-15-23(33-26)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyDYKYNCWGTHXPFP-UHFFFAOYSA-N
XLogP4.47
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78818005
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide
CID 35819755
3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide
CID 35351495
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide
CID 55333176
[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510395
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126519

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide (CID 55405796) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide?
The InChIKey is DYKYNCWGTHXPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-17-12-13-18(2)22(14-17)32-16-24(30)28-29-25(31)20-10-6-7-11-21(20)26-27-15-23(33-26)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide has a molecular weight of 441.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide is sourced from PubChem (CID 55405796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).