N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide

C24H21FN4O4S — CID 39625052

IUPACN'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESCCOc1ccc(-c2noc(CCC(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)n2)cc1
InChIInChI=1S/C24H21FN4O4S/c1-2-32-18-9-5-16(6-10-18)23-26-22(33-29-23)14-13-21(30)27-28-24(31)20-12-11-19(34-20)15-3-7-17(25)8-4-15/h3-12H,2,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyYRMDBEMWEIVESB-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.40
Rot. Bonds8

About N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide

N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide (PubChem CID 39625052) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
PubChem CID39625052
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC NameN'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESCCOc1ccc(-c2noc(CCC(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)n2)cc1
InChIInChI=1S/C24H21FN4O4S/c1-2-32-18-9-5-16(6-10-18)23-26-22(33-29-23)14-13-21(30)27-28-24(31)20-12-11-19(34-20)15-3-7-17(25)8-4-15/h3-12H,2,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyYRMDBEMWEIVESB-UHFFFAOYSA-N
XLogP4.40
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-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

N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 46578398
5-chloro-N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-hydroxybenzohydrazide
CID 55585823
N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277215
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 55407391
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 39632964
N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide
CID 9326628
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46578336
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 46587836
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide (CID 39625052) is N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide is CCOc1ccc(-c2noc(CCC(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)n2)cc1.
What is the InChIKey of N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The InChIKey is YRMDBEMWEIVESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-2-32-18-9-5-16(6-10-18)23-26-22(33-29-23)14-13-21(30)27-28-24(31)20-12-11-19(34-20)15-3-7-17(25)8-4-15/h3-12H,2,13-14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide has a molecular weight of 480.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 39625052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).