5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole

C14H9N5O — CID 94069309

IUPAC5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(-c3cnccn3)no2)c2cc[nH]c2c1
InChIInChI=1S/C14H9N5O/c1-2-10(9-4-5-16-11(9)3-1)14-18-13(19-20-14)12-8-15-6-7-17-12/h1-8,16H
InChIKeySCJCTEFRNLKFDR-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.67
Rot. Bonds2

About 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole

5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 94069309) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID94069309
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(-c3cnccn3)no2)c2cc[nH]c2c1
InChIInChI=1S/C14H9N5O/c1-2-10(9-4-5-16-11(9)3-1)14-18-13(19-20-14)12-8-15-6-7-17-12/h1-8,16H
InChIKeySCJCTEFRNLKFDR-UHFFFAOYSA-N
XLogP2.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 9976750
4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 10383965
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 9927016
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 9974915
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319
5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
CID 10265207
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 10332637
5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
CID 10377118
2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 10421850
2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 10425140
N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine
CID 10709057
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 11777810

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 94069309) is 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole is c1cc(-c2nc(-c3cnccn3)no2)c2cc[nH]c2c1.
What is the InChIKey of 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is SCJCTEFRNLKFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c1-2-10(9-4-5-16-11(9)3-1)14-18-13(19-20-14)12-8-15-6-7-17-12/h1-8,16H.
What are the key properties of 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 263.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 94069309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).