5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

C17H14FN3O2 — CID 75463986

IUPAC5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)11-19-17(22)16-20-15(23-21-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)
InChIKeyAGQZTFRZZWDEHT-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.73
Rot. Bonds5

About 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 75463986) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID75463986
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)11-19-17(22)16-20-15(23-21-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)
InChIKeyAGQZTFRZZWDEHT-UHFFFAOYSA-N
XLogP2.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 97012062
N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide
CID 54318633
N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide
CID 17052840
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115079120
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
3-N-[(4-fluorophenyl)methyl]-1-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070511

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 75463986) is 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is AGQZTFRZZWDEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)11-19-17(22)16-20-15(23-21-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22).
What are the key properties of 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 75463986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).