5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C19H15ClN2O4 — CID 53126303

IUPAC5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccc(Cl)cc4OC)n3)c(C)c2c1
InChIInChI=1S/C19H15ClN2O4/c1-10-14-9-12(23-2)5-7-15(14)25-17(10)18-21-19(26-22-18)13-6-4-11(20)8-16(13)24-3/h4-9H,1-3H3
InChIKeyQSUKXAVPYYPBNN-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.13
Rot. Bonds4

About 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 53126303) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID53126303
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccc(Cl)cc4OC)n3)c(C)c2c1
InChIInChI=1S/C19H15ClN2O4/c1-10-14-9-12(23-2)5-7-15(14)25-17(10)18-21-19(26-22-18)13-6-4-11(20)8-16(13)24-3/h4-9H,1-3H3
InChIKeyQSUKXAVPYYPBNN-UHFFFAOYSA-N
XLogP5.13
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.79
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 53126303) is 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COc1ccc2oc(-c3noc(-c4ccc(Cl)cc4OC)n3)c(C)c2c1.
What is the InChIKey of 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is QSUKXAVPYYPBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-10-14-9-12(23-2)5-7-15(14)25-17(10)18-21-19(26-22-18)13-6-4-11(20)8-16(13)24-3/h4-9H,1-3H3.
What are the key properties of 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 370.79 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methoxyphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).