4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

C22H16FN3O3 — CID 46266948

IUPAC4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1
InChIInChI=1S/C22H16FN3O3/c1-28-19-11-7-14(8-12-19)20-25-22(29-26-20)16-3-2-4-18(13-16)24-21(27)15-5-9-17(23)10-6-15/h2-13H,1H3,(H,24,27)
InChIKeyNIABEKWXFPLMFO-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.80
Rot. Bonds5

About 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 46266948) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID46266948
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1
InChIInChI=1S/C22H16FN3O3/c1-28-19-11-7-14(8-12-19)20-25-22(29-26-20)16-3-2-4-18(13-16)24-21(27)15-5-9-17(23)10-6-15/h2-13H,1H3,(H,24,27)
InChIKeyNIABEKWXFPLMFO-UHFFFAOYSA-N
XLogP4.80
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266949
4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
CID 35521844
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybutanamide
CID 39853089
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 46266948) is 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is NIABEKWXFPLMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-28-19-11-7-14(8-12-19)20-25-22(29-26-20)16-3-2-4-18(13-16)24-21(27)15-5-9-17(23)10-6-15/h2-13H,1H3,(H,24,27).
What are the key properties of 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 389.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 46266948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).