(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate

C20H18N2O4 — CID 55534378

IUPAC(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCCCc1noc(COC(=O)Cc2coc3ccc4ccccc4c23)n1
InChIInChI=1S/C20H18N2O4/c1-2-5-17-21-18(26-22-17)12-25-19(23)10-14-11-24-16-9-8-13-6-3-4-7-15(13)20(14)16/h3-4,6-9,11H,2,5,10,12H2,1H3
InChIKeyRGNRBOYHWMCLMT-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.21
Rot. Bonds6

About (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate

(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 55534378) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID55534378
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCCCc1noc(COC(=O)Cc2coc3ccc4ccccc4c23)n1
InChIInChI=1S/C20H18N2O4/c1-2-5-17-21-18(26-22-17)12-25-19(23)10-14-11-24-16-9-8-13-6-3-4-7-15(13)20(14)16/h3-4,6-9,11H,2,5,10,12H2,1H3
InChIKeyRGNRBOYHWMCLMT-UHFFFAOYSA-N
XLogP4.21
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901659
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7548126
2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901560
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 31274979
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
(3-oxobenzo[f]chromen-1-yl)methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251817
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883

Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate (CID 55534378) is (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate is CCCc1noc(COC(=O)Cc2coc3ccc4ccccc4c23)n1.
What is the InChIKey of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is RGNRBOYHWMCLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-5-17-21-18(26-22-17)12-25-19(23)10-14-11-24-16-9-8-13-6-3-4-7-15(13)20(14)16/h3-4,6-9,11H,2,5,10,12H2,1H3.
What are the key properties of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 350.37 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 55534378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).