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

C22H13FN4O2 — CID 35521844

IUPAC4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1
InChIInChI=1S/C22H13FN4O2/c23-18-10-8-16(9-11-18)22-26-20(27-29-22)17-2-1-3-19(12-17)25-21(28)15-6-4-14(13-24)5-7-15/h1-12H,(H,25,28)
InChIKeyZKMOJLCAKFAZJS-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.67
Rot. Bonds4

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

4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide (PubChem CID 35521844) has the molecular formula C22H13FN4O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
PubChem CID35521844
Molecular FormulaC22H13FN4O2
Molecular Weight384.37 g/mol
Exact Mass384.10
IUPAC Name4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1
InChIInChI=1S/C22H13FN4O2/c23-18-10-8-16(9-11-18)22-26-20(27-29-22)17-2-1-3-19(12-17)25-21(28)15-6-4-14(13-24)5-7-15/h1-12H,(H,25,28)
InChIKeyZKMOJLCAKFAZJS-UHFFFAOYSA-N
XLogP4.67
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
2-(4-fluorophenyl)-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 35521872
N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybutanamide
CID 39853089
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 39854255
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46292631
4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide
CID 53057036
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide (CID 35521844) is 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide is N#Cc1ccc(C(=O)Nc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1.
What is the InChIKey of 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide?
The InChIKey is ZKMOJLCAKFAZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN4O2/c23-18-10-8-16(9-11-18)22-26-20(27-29-22)17-2-1-3-19(12-17)25-21(28)15-6-4-14(13-24)5-7-15/h1-12H,(H,25,28).
What are the key properties of 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide?
4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide has a molecular weight of 384.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 35521844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).