2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C19H14ClN3O4 — CID 40957015

IUPAC2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cccc2cc(-c3nnc(NC(=O)c4ccccc4Cl)o3)oc12
InChIInChI=1S/C19H14ClN3O4/c1-2-25-14-9-5-6-11-10-15(26-16(11)14)18-22-23-19(27-18)21-17(24)12-7-3-4-8-13(12)20/h3-10H,2H2,1H3,(H,21,23,24)
InChIKeyWJWHHBLEDQEYMA-UHFFFAOYSA-N
MW383.79 g/mol
LogP4.79
Rot. Bonds5

About 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 40957015) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID40957015
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cccc2cc(-c3nnc(NC(=O)c4ccccc4Cl)o3)oc12
InChIInChI=1S/C19H14ClN3O4/c1-2-25-14-9-5-6-11-10-15(26-16(11)14)18-22-23-19(27-18)21-17(24)12-7-3-4-8-13(12)20/h3-10H,2H2,1H3,(H,21,23,24)
InChIKeyWJWHHBLEDQEYMA-UHFFFAOYSA-N
XLogP4.79
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74732897
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 40957047
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 40957083
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 40957009
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888894
4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40890071
5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 40957100
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 40957278
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 40956695
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 40957071
4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957022
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 40957405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 40957015) is 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cccc2cc(-c3nnc(NC(=O)c4ccccc4Cl)o3)oc12.
What is the InChIKey of 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WJWHHBLEDQEYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c1-2-25-14-9-5-6-11-10-15(26-16(11)14)18-22-23-19(27-18)21-17(24)12-7-3-4-8-13(12)20/h3-10H,2H2,1H3,(H,21,23,24).
What are the key properties of 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 383.79 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 40957015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).