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

C17H21N3O4 — CID 25163842

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C17H21N3O4/c1-5-13-16(12(4)24-20-13)17(22)19-18-15(21)9-23-14-8-10(2)6-7-11(14)3/h6-8H,5,9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyCJECFRKARJCDKJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.00
Rot. Bonds5

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

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 25163842) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID25163842
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C17H21N3O4/c1-5-13-16(12(4)24-20-13)17(22)19-18-15(21)9-23-14-8-10(2)6-7-11(14)3/h6-8H,5,9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyCJECFRKARJCDKJ-UHFFFAOYSA-N
XLogP2.00
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.00
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 N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (CID 25163842) is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is CCc1noc(C)c1C(=O)NNC(=O)COc1cc(C)ccc1C.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is CJECFRKARJCDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-5-13-16(12(4)24-20-13)17(22)19-18-15(21)9-23-14-8-10(2)6-7-11(14)3/h6-8H,5,9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 331.37 g/mol, XLogP of 2.00, 5 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]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 25163842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).