N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide

C20H19N3O2 — CID 167969254

IUPACN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1noc(-c2ccc3c(c2)CCC3)n1)C(=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23(20(24)15-6-3-2-4-7-15)13-18-21-19(25-22-18)17-11-10-14-8-5-9-16(14)12-17/h2-4,6-7,10-12H,5,8-9,13H2,1H3
InChIKeyWBDFDXQXDAGEJC-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.50
Rot. Bonds4

About N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide

N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide (PubChem CID 167969254) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide
PubChem CID167969254
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1noc(-c2ccc3c(c2)CCC3)n1)C(=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23(20(24)15-6-3-2-4-7-15)13-18-21-19(25-22-18)17-11-10-14-8-5-9-16(14)12-17/h2-4,6-7,10-12H,5,8-9,13H2,1H3
InChIKeyWBDFDXQXDAGEJC-UHFFFAOYSA-N
XLogP3.50
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706328
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55184374
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120838621
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706341
N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide
CID 46984239
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435341
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetic acid
CID 43442524

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide (CID 167969254) is N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide is CN(Cc1noc(-c2ccc3c(c2)CCC3)n1)C(=O)c1ccccc1.
What is the InChIKey of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide?
The InChIKey is WBDFDXQXDAGEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(20(24)15-6-3-2-4-7-15)13-18-21-19(25-22-18)17-11-10-14-8-5-9-16(14)12-17/h2-4,6-7,10-12H,5,8-9,13H2,1H3.
What are the key properties of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide?
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 167969254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).