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

C23H18FN3O3 — CID 3241283

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H18FN3O3/c24-20-9-5-4-8-19(20)23-26-22(30-27-23)15-14-21(28)25-16-10-12-18(13-11-16)29-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28)
InChIKeySXDUHUMRKPMSOZ-UHFFFAOYSA-N
MW403.41 g/mol
LogP5.24
Rot. Bonds7

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

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide (PubChem CID 3241283) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
PubChem CID3241283
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H18FN3O3/c24-20-9-5-4-8-19(20)23-26-22(30-27-23)15-14-21(28)25-16-10-12-18(13-11-16)29-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28)
InChIKeySXDUHUMRKPMSOZ-UHFFFAOYSA-N
XLogP5.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 666363
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
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)benzamide
CID 2225787
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 3225914
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236100
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide
CID 3239198

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide (CID 3241283) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide is O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide?
The InChIKey is SXDUHUMRKPMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-20-9-5-4-8-19(20)23-26-22(30-27-23)15-14-21(28)25-16-10-12-18(13-11-16)29-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide has a molecular weight of 403.41 g/mol, XLogP of 5.24, 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-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 3241283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).