N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide

C22H16FN3O2 — CID 17052840

IUPACN-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2noc(Cc3ccccc3)n2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O2/c23-18-10-6-17(7-11-18)22(27)24-19-12-8-16(9-13-19)21-25-20(28-26-21)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,24,27)
InChIKeyQCSWCPVPUWNEOL-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.72
Rot. Bonds5

About N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide

N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide (PubChem CID 17052840) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide
PubChem CID17052840
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2noc(Cc3ccccc3)n2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O2/c23-18-10-6-17(7-11-18)22(27)24-19-12-8-16(9-13-19)21-25-20(28-26-21)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,24,27)
InChIKeyQCSWCPVPUWNEOL-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 46392010
(4-benzamidophenyl) 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 55684802
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
CID 122176663
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 9034807
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 42540179
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide (CID 17052840) is N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide is O=C(Nc1ccc(-c2noc(Cc3ccccc3)n2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide?
The InChIKey is QCSWCPVPUWNEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-18-10-6-17(7-11-18)22(27)24-19-12-8-16(9-13-19)21-25-20(28-26-21)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,24,27).
What are the key properties of N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide?
N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide has a molecular weight of 373.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 17052840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).