2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole

C19H14N4O2 — CID 53141139

IUPAC2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(-c4ccc5cc[nH]c5c4)n3)ccc2o1
InChIInChI=1S/C19H14N4O2/c1-2-17-21-15-9-12(5-6-16(15)24-17)18-22-19(25-23-18)13-4-3-11-7-8-20-14(11)10-13/h3-10,20H,2H2,1H3
InChIKeyVBNSNFSVMCARLK-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.59
Rot. Bonds3

About 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole

2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (PubChem CID 53141139) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
PubChem CID53141139
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(-c4ccc5cc[nH]c5c4)n3)ccc2o1
InChIInChI=1S/C19H14N4O2/c1-2-17-21-15-9-12(5-6-16(15)24-17)18-22-19(25-23-18)13-4-3-11-7-8-20-14(11)10-13/h3-10,20H,2H2,1H3
InChIKeyVBNSNFSVMCARLK-UHFFFAOYSA-N
XLogP4.59
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (CID 53141139) is 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is CCc1nc2cc(-c3noc(-c4ccc5cc[nH]c5c4)n3)ccc2o1.
What is the InChIKey of 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The InChIKey is VBNSNFSVMCARLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-2-17-21-15-9-12(5-6-16(15)24-17)18-22-19(25-23-18)13-4-3-11-7-8-20-14(11)10-13/h3-10,20H,2H2,1H3.
What are the key properties of 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole has a molecular weight of 330.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[5-(1H-indol-6-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 53141139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).