N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide

C19H20N4O5 — CID 9371333

IUPACN-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C19H20N4O5/c1-2-7-23(11-18-21-22-19(28-18)15-4-3-8-25-15)10-17(24)20-13-5-6-14-16(9-13)27-12-26-14/h3-6,8-9H,2,7,10-12H2,1H3,(H,20,24)
InChIKeyVPJCWXZAUYKAHQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.91
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide (PubChem CID 9371333) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
PubChem CID9371333
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C19H20N4O5/c1-2-7-23(11-18-21-22-19(28-18)15-4-3-8-25-15)10-17(24)20-13-5-6-14-16(9-13)27-12-26-14/h3-6,8-9H,2,7,10-12H2,1H3,(H,20,24)
InChIKeyVPJCWXZAUYKAHQ-UHFFFAOYSA-N
XLogP2.91
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
N-(3,4-dimethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371528
N-(4-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371601
N-(4-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371596
ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate
CID 9371489
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 78825331
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide
CID 9371658
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
(E)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
CID 32567973

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide (CID 9371333) is N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide is CCCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nnc(-c2ccco2)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide?
The InChIKey is VPJCWXZAUYKAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-2-7-23(11-18-21-22-19(28-18)15-4-3-8-25-15)10-17(24)20-13-5-6-14-16(9-13)27-12-26-14/h3-6,8-9H,2,7,10-12H2,1H3,(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide has a molecular weight of 384.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide is sourced from PubChem (CID 9371333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).