2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide

C20H21FN4O4 — CID 71794447

IUPAC2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide
SMILESCCC(C(=O)NCCOC)n1cc(-c2nc(-c3ccccc3F)no2)ccc1=O
InChIInChI=1S/C20H21FN4O4/c1-3-16(19(27)22-10-11-28-2)25-12-13(8-9-17(25)26)20-23-18(24-29-20)14-6-4-5-7-15(14)21/h4-9,12,16H,3,10-11H2,1-2H3,(H,22,27)
InChIKeyIAAWKBLUKPSSFS-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.42
Rot. Bonds8

About 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide

2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide (PubChem CID 71794447) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide
PubChem CID71794447
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide
SMILESCCC(C(=O)NCCOC)n1cc(-c2nc(-c3ccccc3F)no2)ccc1=O
InChIInChI=1S/C20H21FN4O4/c1-3-16(19(27)22-10-11-28-2)25-12-13(8-9-17(25)26)20-23-18(24-29-20)14-6-4-5-7-15(14)21/h4-9,12,16H,3,10-11H2,1-2H3,(H,22,27)
InChIKeyIAAWKBLUKPSSFS-UHFFFAOYSA-N
XLogP2.42
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
3-(2-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084261
3-(2-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805657
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 166850879
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 110323445
2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide
CID 3973125
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
CID 53141589
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63352621

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide?
The IUPAC name of 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide (CID 71794447) is 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide is CCC(C(=O)NCCOC)n1cc(-c2nc(-c3ccccc3F)no2)ccc1=O.
What is the InChIKey of 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide?
The InChIKey is IAAWKBLUKPSSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-3-16(19(27)22-10-11-28-2)25-12-13(8-9-17(25)26)20-23-18(24-29-20)14-6-4-5-7-15(14)21/h4-9,12,16H,3,10-11H2,1-2H3,(H,22,27).
What are the key properties of 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide?
2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide has a molecular weight of 400.41 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 71794447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).