5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide

C14H16FN3O2 — CID 83273319

IUPAC5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCCNC(=O)c1noc(-c2ccccc2F)n1
InChIInChI=1S/C14H16FN3O2/c1-2-3-6-9-16-13(19)12-17-14(20-18-12)10-7-4-5-8-11(10)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,19)
InChIKeyFZZHUJJQKDTGIJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.80
Rot. Bonds6

About 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide

5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 83273319) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID83273319
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCCNC(=O)c1noc(-c2ccccc2F)n1
InChIInChI=1S/C14H16FN3O2/c1-2-3-6-9-16-13(19)12-17-14(20-18-12)10-7-4-5-8-11(10)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,19)
InChIKeyFZZHUJJQKDTGIJ-UHFFFAOYSA-N
XLogP2.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide (CID 83273319) is 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide is CCCCCNC(=O)c1noc(-c2ccccc2F)n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FZZHUJJQKDTGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-3-6-9-16-13(19)12-17-14(20-18-12)10-7-4-5-8-11(10)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,19).
What are the key properties of 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide?
5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-pentyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 83273319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).