2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide

C20H20FN3O2 — CID 39866769

IUPAC2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H20FN3O2/c1-3-13(4-2)19(25)22-17-8-6-5-7-16(17)20-23-18(24-26-20)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyFQGKUMHESLLZRM-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.92
Rot. Bonds6

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

2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide (PubChem CID 39866769) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
PubChem CID39866769
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H20FN3O2/c1-3-13(4-2)19(25)22-17-8-6-5-7-16(17)20-23-18(24-26-20)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyFQGKUMHESLLZRM-UHFFFAOYSA-N
XLogP4.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 39867097
(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866682
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
CID 30332666
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866674
(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333177

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide (CID 39866769) is 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide is CCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide?
The InChIKey is FQGKUMHESLLZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-3-13(4-2)19(25)22-17-8-6-5-7-16(17)20-23-18(24-26-20)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide?
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide has a molecular weight of 353.40 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide is sourced from PubChem (CID 39866769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).