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

C18H16FN3O3 — CID 866833

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C18H16FN3O3/c1-24-15-9-5-4-8-14(15)20-16(23)10-11-17-21-18(22-25-17)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyBBFKXUYPHJIOPL-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.46
Rot. Bonds6

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

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 866833) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID866833
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C18H16FN3O3/c1-24-15-9-5-4-8-14(15)20-16(23)10-11-17-21-18(22-25-17)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyBBFKXUYPHJIOPL-UHFFFAOYSA-N
XLogP3.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxyphenyl)propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide (CID 866833) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCc1nc(-c2ccccc2F)no1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is BBFKXUYPHJIOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-15-9-5-4-8-14(15)20-16(23)10-11-17-21-18(22-25-17)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 341.34 g/mol, XLogP of 3.46, 6 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-methoxyphenyl)propanamide is sourced from PubChem (CID 866833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).