5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole

C21H14N4O3 — CID 166213411

IUPAC5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2noc(-c3cc(-c4ccc5c(c4)CCO5)no3)n2)c2cc[nH]c2c1
InChIInChI=1S/C21H14N4O3/c1-2-15(14-6-8-22-16(14)3-1)20-23-21(28-25-20)19-11-17(24-27-19)12-4-5-18-13(10-12)7-9-26-18/h1-6,8,10-11,22H,7,9H2
InChIKeyKXZILNCKZLJTND-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.47
Rot. Bonds3

About 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole

5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole (PubChem CID 166213411) has the molecular formula C21H14N4O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole
PubChem CID166213411
Molecular FormulaC21H14N4O3
Molecular Weight370.37 g/mol
Exact Mass370.11
IUPAC Name5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2noc(-c3cc(-c4ccc5c(c4)CCO5)no3)n2)c2cc[nH]c2c1
InChIInChI=1S/C21H14N4O3/c1-2-15(14-6-8-22-16(14)3-1)20-23-21(28-25-20)19-11-17(24-27-19)12-4-5-18-13(10-12)7-9-26-18/h1-6,8,10-11,22H,7,9H2
InChIKeyKXZILNCKZLJTND-UHFFFAOYSA-N
XLogP4.47
TPSA89.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-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-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole (CID 166213411) is 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole is c1cc(-c2noc(-c3cc(-c4ccc5c(c4)CCO5)no3)n2)c2cc[nH]c2c1.
What is the InChIKey of 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole?
The InChIKey is KXZILNCKZLJTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3/c1-2-15(14-6-8-22-16(14)3-1)20-23-21(28-25-20)19-11-17(24-27-19)12-4-5-18-13(10-12)7-9-26-18/h1-6,8,10-11,22H,7,9H2.
What are the key properties of 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole?
5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole has a molecular weight of 370.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166213411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).