N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C22H14N4O2 — CID 46288577

IUPACN-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H14N4O2/c23-14-15-7-6-10-17(13-15)24-21(27)18-11-4-5-12-19(18)22-25-20(26-28-22)16-8-2-1-3-9-16/h1-13H,(H,24,27)
InChIKeySQGBWIOZJRUXKI-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.53
Rot. Bonds4

About N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 46288577) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID46288577
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC NameN-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H14N4O2/c23-14-15-7-6-10-17(13-15)24-21(27)18-11-4-5-12-19(18)22-25-20(26-28-22)16-8-2-1-3-9-16/h1-13H,(H,24,27)
InChIKeySQGBWIOZJRUXKI-UHFFFAOYSA-N
XLogP4.53
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.53
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
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-cyanophenyl)benzamide
CID 46288596
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 3730602
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329655
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548
N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 33432417
4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
CID 35521844
3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103827436

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 46288577) is N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is N#Cc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is SQGBWIOZJRUXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c23-14-15-7-6-10-17(13-15)24-21(27)18-11-4-5-12-19(18)22-25-20(26-28-22)16-8-2-1-3-9-16/h1-13H,(H,24,27).
What are the key properties of N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 366.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 46288577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).