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

C18H16FN3O3 — CID 3806837

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1
InChIInChI=1S/C18H16FN3O3/c1-24-13-6-4-5-12(11-13)20-16(23)9-10-17-21-18(22-25-17)14-7-2-3-8-15(14)19/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyDPLJFCKTAGADMO-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.46
Rot. Bonds6

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

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 3806837) 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-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID3806837
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1
InChIInChI=1S/C18H16FN3O3/c1-24-13-6-4-5-12(11-13)20-16(23)9-10-17-21-18(22-25-17)14-7-2-3-8-15(14)19/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyDPLJFCKTAGADMO-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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Related Compounds

N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 665754
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
CID 3159507
N-{3-[4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-phenyl}-acetamide
CID 655521
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 665498
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665665
N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 665676
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 666363
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 667337
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
CID 866833
N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1250111
N-(2-chlorophenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019737

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide (CID 3806837) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is DPLJFCKTAGADMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-13-6-4-5-12(11-13)20-16(23)9-10-17-21-18(22-25-17)14-7-2-3-8-15(14)19/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 3806837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).