(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate

C21H18N2O4 — CID 7617689

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCc3nnc(-c4ccccc4)o3)coc2c1C
InChIInChI=1S/C21H18N2O4/c1-13-8-9-17-16(11-26-20(17)14(13)2)10-19(24)25-12-18-22-23-21(27-18)15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3
InChIKeyOJHAWFYXBOWONQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.39
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate (PubChem CID 7617689) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
PubChem CID7617689
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCc3nnc(-c4ccccc4)o3)coc2c1C
InChIInChI=1S/C21H18N2O4/c1-13-8-9-17-16(11-26-20(17)14(13)2)10-19(24)25-12-18-22-23-21(27-18)15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3
InChIKeyOJHAWFYXBOWONQ-UHFFFAOYSA-N
XLogP4.39
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8955343
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-methylphenoxy)acetate
CID 7767710
(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8778381
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8610251
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788533
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7524315
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate
CID 7856410
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885049
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
CID 2081182
(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8984561

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate (CID 7617689) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate is Cc1ccc2c(CC(=O)OCc3nnc(-c4ccccc4)o3)coc2c1C.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The InChIKey is OJHAWFYXBOWONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-13-8-9-17-16(11-26-20(17)14(13)2)10-19(24)25-12-18-22-23-21(27-18)15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate has a molecular weight of 362.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7617689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).