N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C22H20N4O2 — CID 78830320

IUPACN-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NC4(C#N)CCCC4)cc3)o2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-4-6-17(7-5-15)20-25-26-21(28-20)18-10-8-16(9-11-18)19(27)24-22(14-23)12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H,24,27)
InChIKeyFSYCUQSLLHPXDB-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.28
Rot. Bonds4

About N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 78830320) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID78830320
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NC4(C#N)CCCC4)cc3)o2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-4-6-17(7-5-15)20-25-26-21(28-20)18-10-8-16(9-11-18)19(27)24-22(14-23)12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H,24,27)
InChIKeyFSYCUQSLLHPXDB-UHFFFAOYSA-N
XLogP4.28
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 78830320) is N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4(C#N)CCCC4)cc3)o2)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is FSYCUQSLLHPXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-4-6-17(7-5-15)20-25-26-21(28-20)18-10-8-16(9-11-18)19(27)24-22(14-23)12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H,24,27).
What are the key properties of N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 78830320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).