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

C22H19FN6O4 — CID 166325121

IUPACN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
SMILESCc1nnc(-c2cccc(NC(=O)C(=O)NCCCc3nc(-c4ccc(F)cc4)no3)c2)o1
InChIInChI=1S/C22H19FN6O4/c1-13-27-28-22(32-13)15-4-2-5-17(12-15)25-21(31)20(30)24-11-3-6-18-26-19(29-33-18)14-7-9-16(23)10-8-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,24,30)(H,25,31)
InChIKeyWYGPWWRWJWGAKH-UHFFFAOYSA-N
MW450.43 g/mol
LogP2.92
Rot. Bonds7

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

N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide (PubChem CID 166325121) has the molecular formula C22H19FN6O4 and a molecular weight of 450.43 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
PubChem CID166325121
Molecular FormulaC22H19FN6O4
Molecular Weight450.43 g/mol
Exact Mass450.15
IUPAC NameN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
SMILESCc1nnc(-c2cccc(NC(=O)C(=O)NCCCc3nc(-c4ccc(F)cc4)no3)c2)o1
InChIInChI=1S/C22H19FN6O4/c1-13-27-28-22(32-13)15-4-2-5-17(12-15)25-21(31)20(30)24-11-3-6-18-26-19(29-33-18)14-7-9-16(23)10-8-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,24,30)(H,25,31)
InChIKeyWYGPWWRWJWGAKH-UHFFFAOYSA-N
XLogP2.92
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

US11254663, Example 157
CID 155060838
N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162721919
4-[5-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 162721952
N-(4-(5-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2-fluorobenzyl)-1,2,4-oxadiazol-3-yl)phenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 162722007
N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162722465
N-(3-(3-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,6-difluorobenzyl)-1,2,4-oxadiazol-5-yl)phenyl)morpholine-4-carboxamide
CID 162722474
4-[5-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 162722551
N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide
CID 162722647
4-[5-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 162722851
N-[4-[5-[[4-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 168679616
4-{5-[3-(Dimethylamino)phenyl]-1,2,4-oxadiazol-3-YL}-1-(4-fluorophenyl)pyrrolidin-2-one
CID 44097123
N-(4-fluorophenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
CID 50809759

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide (CID 166325121) is N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide is Cc1nnc(-c2cccc(NC(=O)C(=O)NCCCc3nc(-c4ccc(F)cc4)no3)c2)o1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The InChIKey is WYGPWWRWJWGAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O4/c1-13-27-28-22(32-13)15-4-2-5-17(12-15)25-21(31)20(30)24-11-3-6-18-26-19(29-33-18)14-7-9-16(23)10-8-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,24,30)(H,25,31).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide has a molecular weight of 450.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide is sourced from PubChem (CID 166325121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).