5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole

C18H16N4O2 — CID 56874823

IUPAC5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3ccn(Cc4nc(CC5CC5)no4)n3)cc2c1
InChIInChI=1S/C18H16N4O2/c1-2-4-15-13(3-1)10-16(23-15)14-7-8-22(20-14)11-18-19-17(21-24-18)9-12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2
InChIKeyBNGABECNWAFHJT-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.68
Rot. Bonds5

About 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole

5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole (PubChem CID 56874823) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
PubChem CID56874823
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3ccn(Cc4nc(CC5CC5)no4)n3)cc2c1
InChIInChI=1S/C18H16N4O2/c1-2-4-15-13(3-1)10-16(23-15)14-7-8-22(20-14)11-18-19-17(21-24-18)9-12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2
InChIKeyBNGABECNWAFHJT-UHFFFAOYSA-N
XLogP3.68
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole (CID 56874823) is 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole is c1ccc2oc(-c3ccn(Cc4nc(CC5CC5)no4)n3)cc2c1.
What is the InChIKey of 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The InChIKey is BNGABECNWAFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-4-15-13(3-1)10-16(23-15)14-7-8-22(20-14)11-18-19-17(21-24-18)9-12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2.
What are the key properties of 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole has a molecular weight of 320.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-benzofuran-2-yl)pyrazol-1-yl]methyl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56874823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).