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

C16H16N4O4 — CID 9323375

IUPACN'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H16N4O4/c1-3-13-15(10(2)24-20-13)16(22)19-18-14(21)9-23-12-6-4-11(8-17)5-7-12/h4-7H,3,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyBJMDRXOXVJEKHI-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.26
Rot. Bonds5

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

N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 9323375) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID9323375
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H16N4O4/c1-3-13-15(10(2)24-20-13)16(22)19-18-14(21)9-23-12-6-4-11(8-17)5-7-12/h4-7H,3,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyBJMDRXOXVJEKHI-UHFFFAOYSA-N
XLogP1.26
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9328567
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
2-(4-cyanophenoxy)-N'-hex-1-en-2-ylacetohydrazide
CID 2432444
N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide
CID 25395657
N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
CID 9471732
ethyl 2-[[2-(4-cyanophenoxy)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 7818652
N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26847603
1-(4-chlorophenyl)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiourea
CID 9317348
N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18229898
N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9085819

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (CID 9323375) is N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is CCc1noc(C)c1C(=O)NNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is BJMDRXOXVJEKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-3-13-15(10(2)24-20-13)16(22)19-18-14(21)9-23-12-6-4-11(8-17)5-7-12/h4-7H,3,9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 328.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9323375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).