N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide

C20H20N4O2 — CID 167872697

IUPACN-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(C)c1noc(-c2ccccc2C(=O)Nc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C20H20N4O2/c1-12(2)18-23-20(26-24-18)17-6-4-3-5-16(17)19(25)22-15-8-7-13-10-21-11-14(13)9-15/h3-9,12,21H,10-11H2,1-2H3,(H,22,25)
InChIKeyLZOMMBCRNVYFSB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.72
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide

N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 167872697) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID167872697
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(C)c1noc(-c2ccccc2C(=O)Nc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C20H20N4O2/c1-12(2)18-23-20(26-24-18)17-6-4-3-5-16(17)19(25)22-15-8-7-13-10-21-11-14(13)9-15/h3-9,12,21H,10-11H2,1-2H3,(H,22,25)
InChIKeyLZOMMBCRNVYFSB-UHFFFAOYSA-N
XLogP3.72
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide (CID 167872697) is N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide is CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc3c(c2)CNC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is LZOMMBCRNVYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(2)18-23-20(26-24-18)17-6-4-3-5-16(17)19(25)22-15-8-7-13-10-21-11-14(13)9-15/h3-9,12,21H,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 167872697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).