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

C14H16FN3O3 — CID 3639803

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C14H16FN3O3/c1-20-9-8-16-12(19)6-7-13-17-14(18-21-13)10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H,16,19)
InChIKeyWVVWOMABVGXIRP-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.57
Rot. Bonds7

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

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 3639803) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide
PubChem CID3639803
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C14H16FN3O3/c1-20-9-8-16-12(19)6-7-13-17-14(18-21-13)10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H,16,19)
InChIKeyWVVWOMABVGXIRP-UHFFFAOYSA-N
XLogP1.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide (CID 3639803) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1nc(-c2ccccc2F)no1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is WVVWOMABVGXIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-20-9-8-16-12(19)6-7-13-17-14(18-21-13)10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H,16,19).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 293.30 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 3639803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).