ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate

C21H24N4O5 — CID 9371489

IUPACethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate
SMILESCCCN(CC(=O)Nc1ccc(C(=O)OCC)cc1)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C21H24N4O5/c1-3-11-25(14-19-23-24-20(30-19)17-6-5-12-29-17)13-18(26)22-16-9-7-15(8-10-16)21(27)28-4-2/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,22,26)
InChIKeyQXBAGINYWBUMMN-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.36
Rot. Bonds10

About ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate

ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate (PubChem CID 9371489) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate
PubChem CID9371489
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Nameethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate
SMILESCCCN(CC(=O)Nc1ccc(C(=O)OCC)cc1)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C21H24N4O5/c1-3-11-25(14-19-23-24-20(30-19)17-6-5-12-29-17)13-18(26)22-16-9-7-15(8-10-16)21(27)28-4-2/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,22,26)
InChIKeyQXBAGINYWBUMMN-UHFFFAOYSA-N
XLogP3.36
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371596
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
N-(4-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371601
N-(3,4-dimethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371528
N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371333
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
N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371265
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51110436
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611
ethyl 4-(furan-2-yl)-6-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 17433097

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate (CID 9371489) is ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate is CCCN(CC(=O)Nc1ccc(C(=O)OCC)cc1)Cc1nnc(-c2ccco2)o1.
What is the InChIKey of ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate?
The InChIKey is QXBAGINYWBUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-3-11-25(14-19-23-24-20(30-19)17-6-5-12-29-17)13-18(26)22-16-9-7-15(8-10-16)21(27)28-4-2/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,22,26).
What are the key properties of ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate?
ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate has a molecular weight of 412.45 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate is sourced from PubChem (CID 9371489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).