3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide

C25H21N3O4 — CID 55644587

IUPAC3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)on2)cc1
InChIInChI=1S/C25H21N3O4/c1-17-11-13-19(14-12-17)21-15-23(32-28-21)25(30)27-26-24(29)16-31-22-10-6-5-9-20(22)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyAAFVDMUYFWVLTI-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.16
Rot. Bonds6

About 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide

3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide (PubChem CID 55644587) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide
PubChem CID55644587
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)on2)cc1
InChIInChI=1S/C25H21N3O4/c1-17-11-13-19(14-12-17)21-15-23(32-28-21)25(30)27-26-24(29)16-31-22-10-6-5-9-20(22)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyAAFVDMUYFWVLTI-UHFFFAOYSA-N
XLogP4.16
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.16
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

2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
3-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978332
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17094335
4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide
CID 27568393
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide?
The IUPAC name of 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide (CID 55644587) is 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide is Cc1ccc(-c2cc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide?
The InChIKey is AAFVDMUYFWVLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-17-11-13-19(14-12-17)21-15-23(32-28-21)25(30)27-26-24(29)16-31-22-10-6-5-9-20(22)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide?
3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide has a molecular weight of 427.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 55644587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).