3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide

C18H17FN4O2 — CID 9480339

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide
SMILESCN(NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1
InChIInChI=1S/C18H17FN4O2/c1-23(15-5-3-2-4-6-15)21-16(24)11-12-17-20-18(22-25-17)13-7-9-14(19)10-8-13/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyPEBLCFYJICBVPD-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.98
Rot. Bonds6

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide (PubChem CID 9480339) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide
PubChem CID9480339
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide
SMILESCN(NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1
InChIInChI=1S/C18H17FN4O2/c1-23(15-5-3-2-4-6-15)21-16(24)11-12-17-20-18(22-25-17)13-7-9-14(19)10-8-13/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyPEBLCFYJICBVPD-UHFFFAOYSA-N
XLogP2.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55407178
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 43019750
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
(2R)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 95773608
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylpentanoic acid
CID 51065244
S-[4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56580062
N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9481051

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide (CID 9480339) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide is CN(NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide?
The InChIKey is PEBLCFYJICBVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23(15-5-3-2-4-6-15)21-16(24)11-12-17-20-18(22-25-17)13-7-9-14(19)10-8-13/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide has a molecular weight of 340.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide is sourced from PubChem (CID 9480339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).