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

C17H15FN4O4 — CID 9326628

IUPACN'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H15FN4O4/c1-10-13(8-9-25-10)17(24)21-20-14(23)6-7-15-19-16(22-26-15)11-2-4-12(18)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,20,23)(H,21,24)
InChIKeyPLYHMQOTFRGMAT-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.17
Rot. Bonds5

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

N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide (PubChem CID 9326628) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide
PubChem CID9326628
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC NameN'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H15FN4O4/c1-10-13(8-9-25-10)17(24)21-20-14(23)6-7-15-19-16(22-26-15)11-2-4-12(18)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,20,23)(H,21,24)
InChIKeyPLYHMQOTFRGMAT-UHFFFAOYSA-N
XLogP2.17
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.17
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]-2,5-dimethylfuran-3-carbohydrazide
CID 9277215
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-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 39625052
(2R)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 95773608
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17483229
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide
CID 9480339

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide (CID 9326628) is N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)CCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is PLYHMQOTFRGMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4/c1-10-13(8-9-25-10)17(24)21-20-14(23)6-7-15-19-16(22-26-15)11-2-4-12(18)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide?
N'-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 358.33 g/mol, XLogP of 2.17, 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-methylfuran-3-carbohydrazide is sourced from PubChem (CID 9326628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).