5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide

C13H15N3O3 — CID 55214370

IUPAC5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCc1ccc(OCc2cc(C(=O)NN)no2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-9-3-5-10(6-4-9)18-8-11-7-12(16-19-11)13(17)15-14/h3-7H,2,8,14H2,1H3,(H,15,17)
InChIKeyGLFSEGUOYHLSJS-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.42
Rot. Bonds5

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

5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 55214370) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID55214370
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCc1ccc(OCc2cc(C(=O)NN)no2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-9-3-5-10(6-4-9)18-8-11-7-12(16-19-11)13(17)15-14/h3-7H,2,8,14H2,1H3,(H,15,17)
InChIKeyGLFSEGUOYHLSJS-UHFFFAOYSA-N
XLogP1.42
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63585313
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
5-[(3-methylsulfonylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569829
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide
CID 116804129
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide (CID 55214370) is 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide is CCc1ccc(OCc2cc(C(=O)NN)no2)cc1.
What is the InChIKey of 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is GLFSEGUOYHLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-9-3-5-10(6-4-9)18-8-11-7-12(16-19-11)13(17)15-14/h3-7H,2,8,14H2,1H3,(H,15,17).
What are the key properties of 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 261.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55214370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).