3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide

C17H21N3O4 — CID 9324274

IUPAC3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2c(CC)noc2C)cc1
InChIInChI=1S/C17H21N3O4/c1-4-12-6-8-13(9-7-12)23-10-15(21)18-19-17(22)16-11(3)24-20-14(16)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUQVBRUMXYJXEEU-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.95
Rot. Bonds6

About 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide

3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 9324274) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID9324274
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2c(CC)noc2C)cc1
InChIInChI=1S/C17H21N3O4/c1-4-12-6-8-13(9-7-12)23-10-15(21)18-19-17(22)16-11(3)24-20-14(16)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUQVBRUMXYJXEEU-UHFFFAOYSA-N
XLogP1.95
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide (CID 9324274) is 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2c(CC)noc2C)cc1.
What is the InChIKey of 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is UQVBRUMXYJXEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-12-6-8-13(9-7-12)23-10-15(21)18-19-17(22)16-11(3)24-20-14(16)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide?
3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 331.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9324274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).