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

C21H14N4O2S — CID 90563793

IUPAC4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C21H14N4O2S/c22-13-14-7-9-15(10-8-14)21(26)23-17-5-2-1-4-16(17)12-19-24-20(25-27-19)18-6-3-11-28-18/h1-11H,12H2,(H,23,26)
InChIKeyVIYSAERMLUYCQJ-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.51
Rot. Bonds5

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

4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (PubChem CID 90563793) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
PubChem CID90563793
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC Name4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C21H14N4O2S/c22-13-14-7-9-15(10-8-14)21(26)23-17-5-2-1-4-16(17)12-19-24-20(25-27-19)18-6-3-11-28-18/h1-11H,12H2,(H,23,26)
InChIKeyVIYSAERMLUYCQJ-UHFFFAOYSA-N
XLogP4.51
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 90563812
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
1-phenyl-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563863
2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563709
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563659
2,4-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563708
3-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563664
3,3-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563665
1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563880
5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 86263846
2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide
CID 71800611
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (CID 90563793) is 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The InChIKey is VIYSAERMLUYCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c22-13-14-7-9-15(10-8-14)21(26)23-17-5-2-1-4-16(17)12-19-24-20(25-27-19)18-6-3-11-28-18/h1-11H,12H2,(H,23,26).
What are the key properties of 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide has a molecular weight of 386.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 90563793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).