3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole

C15H13N5O — CID 15069632

IUPAC3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2cn(-c3c[nH]c4ccccc34)cn2)n1
InChIInChI=1S/C15H13N5O/c1-2-14-18-15(21-19-14)12-8-20(9-17-12)13-7-16-11-6-4-3-5-10(11)13/h3-9,16H,2H2,1H3
InChIKeyYZPGEVWHZCBZKS-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.97
Rot. Bonds3

About 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole

3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole (PubChem CID 15069632) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole
PubChem CID15069632
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2cn(-c3c[nH]c4ccccc34)cn2)n1
InChIInChI=1S/C15H13N5O/c1-2-14-18-15(21-19-14)12-8-20(9-17-12)13-7-16-11-6-4-3-5-10(11)13/h3-9,16H,2H2,1H3
InChIKeyYZPGEVWHZCBZKS-UHFFFAOYSA-N
XLogP2.97
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole (CID 15069632) is 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole is CCc1noc(-c2cn(-c3c[nH]c4ccccc34)cn2)n1.
What is the InChIKey of 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is YZPGEVWHZCBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-2-14-18-15(21-19-14)12-8-20(9-17-12)13-7-16-11-6-4-3-5-10(11)13/h3-9,16H,2H2,1H3.
What are the key properties of 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole?
3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 279.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 15069632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).