3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine

C21H14N6O — CID 59472048

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESNc1ncc(-c2ccc3ncccc3c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H14N6O/c22-19-18(21-27-26-20(28-21)13-5-2-1-3-6-13)25-17(12-24-19)15-8-9-16-14(11-15)7-4-10-23-16/h1-12H,(H2,22,24)
InChIKeyBDWAVOQBWGTBMJ-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.99
Rot. Bonds3

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 59472048) has the molecular formula C21H14N6O and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine
PubChem CID59472048
Molecular FormulaC21H14N6O
Molecular Weight366.38 g/mol
Exact Mass366.12
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESNc1ncc(-c2ccc3ncccc3c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H14N6O/c22-19-18(21-27-26-20(28-21)13-5-2-1-3-6-13)25-17(12-24-19)15-8-9-16-14(11-15)7-4-10-23-16/h1-12H,(H2,22,24)
InChIKeyBDWAVOQBWGTBMJ-UHFFFAOYSA-N
XLogP3.99
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine (CID 59472048) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine is Nc1ncc(-c2ccc3ncccc3c2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is BDWAVOQBWGTBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O/c22-19-18(21-27-26-20(28-21)13-5-2-1-3-6-13)25-17(12-24-19)15-8-9-16-14(11-15)7-4-10-23-16/h1-12H,(H2,22,24).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 366.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 59472048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).