N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide

C13H14FN3O2 — CID 7711361

IUPACN-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1nonc1-c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c1-2-3-4-11(18)15-13-12(16-19-17-13)9-5-7-10(14)8-6-9/h5-8H,2-4H2,1H3,(H,15,17,18)
InChIKeyYIGJSNNHPPSDJC-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.00
Rot. Bonds5

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

N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide (PubChem CID 7711361) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
PubChem CID7711361
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1nonc1-c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c1-2-3-4-11(18)15-13-12(16-19-17-13)9-5-7-10(14)8-6-9/h5-8H,2-4H2,1H3,(H,15,17,18)
InChIKeyYIGJSNNHPPSDJC-UHFFFAOYSA-N
XLogP3.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 19244563
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
CID 7710203
2-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 17013049
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-4-propan-2-yloxybenzamide
CID 17013908
(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 7677437
3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
CID 7678267
N-(5-phenyl-2H-triazol-4-yl)heptanamide
CID 101432719
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
N-(2,5-diphenyltriazol-4-yl)pentanamide
CID 101457344
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 1108413

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide (CID 7711361) is N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide is CCCCC(=O)Nc1nonc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide?
The InChIKey is YIGJSNNHPPSDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-2-3-4-11(18)15-13-12(16-19-17-13)9-5-7-10(14)8-6-9/h5-8H,2-4H2,1H3,(H,15,17,18).
What are the key properties of N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide?
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide has a molecular weight of 263.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide is sourced from PubChem (CID 7711361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).