2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C22H23ClN4O4 — CID 78825331

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H23ClN4O4/c1-2-9-27(14-21-25-26-22(31-21)16-5-3-4-6-17(16)23)13-20(28)24-15-7-8-18-19(12-15)30-11-10-29-18/h3-8,12H,2,9-11,13-14H2,1H3,(H,24,28)
InChIKeyWJBAHZTWBNHLJU-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.01
Rot. Bonds8

About 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 78825331) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID78825331
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H23ClN4O4/c1-2-9-27(14-21-25-26-22(31-21)16-5-3-4-6-17(16)23)13-20(28)24-15-7-8-18-19(12-15)30-11-10-29-18/h3-8,12H,2,9-11,13-14H2,1H3,(H,24,28)
InChIKeyWJBAHZTWBNHLJU-UHFFFAOYSA-N
XLogP4.01
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(4-cyanophenyl)acetamide
CID 112800914
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110334555
N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371333
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 78825031
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine
CID 78826611
N-(tert-butylcarbamoyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 78825504
N-(benzylcarbamoyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 78825550
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 78825285
propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
CID 78825656
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 78826468
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 112781040

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 78825331) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CCCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is WJBAHZTWBNHLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-2-9-27(14-21-25-26-22(31-21)16-5-3-4-6-17(16)23)13-20(28)24-15-7-8-18-19(12-15)30-11-10-29-18/h3-8,12H,2,9-11,13-14H2,1H3,(H,24,28).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 442.90 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 78825331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).