[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C19H14N2O5 — CID 7925425

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)Oc3ccc(-c4nnco4)cc3)coc2c1
InChIInChI=1S/C19H14N2O5/c1-23-15-6-7-16-13(10-24-17(16)9-15)8-18(22)26-14-4-2-12(3-5-14)19-21-20-11-25-19/h2-7,9-11H,8H2,1H3
InChIKeyRGXUGHFAWGJGAJ-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.64
Rot. Bonds5

About [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 7925425) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID7925425
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)Oc3ccc(-c4nnco4)cc3)coc2c1
InChIInChI=1S/C19H14N2O5/c1-23-15-6-7-16-13(10-24-17(16)9-15)8-18(22)26-14-4-2-12(3-5-14)19-21-20-11-25-19/h2-7,9-11H,8H2,1H3
InChIKeyRGXUGHFAWGJGAJ-UHFFFAOYSA-N
XLogP3.64
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate
CID 8893718
(4-cyanophenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7741382
(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55339227
[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2713459
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one
CID 7908166
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate
CID 2547632
[4-(1,3,4-oxadiazol-2-yl)phenyl] 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 16595101
[4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 26686582
(4-methoxyphenyl) 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18277245
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 7925425) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)Oc3ccc(-c4nnco4)cc3)coc2c1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is RGXUGHFAWGJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-23-15-6-7-16-13(10-24-17(16)9-15)8-18(22)26-14-4-2-12(3-5-14)19-21-20-11-25-19/h2-7,9-11H,8H2,1H3.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 350.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7925425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).