2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole

C20H20N4O3 — CID 167808170

IUPAC2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole
SMILESCOc1cccc2cc(-c3nnc(-c4cnn(C5CCCC5)c4C)o3)oc12
InChIInChI=1S/C20H20N4O3/c1-12-15(11-21-24(12)14-7-3-4-8-14)19-22-23-20(27-19)17-10-13-6-5-9-16(25-2)18(13)26-17/h5-6,9-11,14H,3-4,7-8H2,1-2H3
InChIKeyHEPZQETTZZZBHL-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.78
Rot. Bonds4

About 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole

2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole (PubChem CID 167808170) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole
PubChem CID167808170
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole
SMILESCOc1cccc2cc(-c3nnc(-c4cnn(C5CCCC5)c4C)o3)oc12
InChIInChI=1S/C20H20N4O3/c1-12-15(11-21-24(12)14-7-3-4-8-14)19-22-23-20(27-19)17-10-13-6-5-9-16(25-2)18(13)26-17/h5-6,9-11,14H,3-4,7-8H2,1-2H3
InChIKeyHEPZQETTZZZBHL-UHFFFAOYSA-N
XLogP4.78
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole (CID 167808170) is 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole is COc1cccc2cc(-c3nnc(-c4cnn(C5CCCC5)c4C)o3)oc12.
What is the InChIKey of 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is HEPZQETTZZZBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-15(11-21-24(12)14-7-3-4-8-14)19-22-23-20(27-19)17-10-13-6-5-9-16(25-2)18(13)26-17/h5-6,9-11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole?
2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 364.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 167808170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).