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

C18H17FN4O4 — CID 9277215

IUPACN'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCc2nc(-c3ccc(F)cc3)no2)c(C)o1
InChIInChI=1S/C18H17FN4O4/c1-10-9-14(11(2)26-10)18(25)22-21-15(24)7-8-16-20-17(23-27-16)12-3-5-13(19)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLBEMFZMKPALUGX-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.48
Rot. Bonds5

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

N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9277215) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9277215
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC NameN'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCc2nc(-c3ccc(F)cc3)no2)c(C)o1
InChIInChI=1S/C18H17FN4O4/c1-10-9-14(11(2)26-10)18(25)22-21-15(24)7-8-16-20-17(23-27-16)12-3-5-13(19)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLBEMFZMKPALUGX-UHFFFAOYSA-N
XLogP2.48
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide
CID 9326628
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 55407391
4-bromo-N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
CID 31421715
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9084711
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 39625052
N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468094
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide
CID 9480339
N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylpentanoic acid
CID 51065244
5-chloro-N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-hydroxybenzohydrazide
CID 55585823

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9277215) is N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCc2nc(-c3ccc(F)cc3)no2)c(C)o1.
What is the InChIKey of N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is LBEMFZMKPALUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-10-9-14(11(2)26-10)18(25)22-21-15(24)7-8-16-20-17(23-27-16)12-3-5-13(19)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 372.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9277215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).