3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine

C21H14N6O — CID 59472113

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine
SMILESNc1ncc(-c2cccc3cccnc23)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H14N6O/c22-19-18(21-27-26-20(28-21)14-6-2-1-3-7-14)25-16(12-24-19)15-10-4-8-13-9-5-11-23-17(13)15/h1-12H,(H2,22,24)
InChIKeyOVKVTYSAUDFAOV-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.99
Rot. Bonds3

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine (PubChem CID 59472113) 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-8-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine
PubChem CID59472113
Molecular FormulaC21H14N6O
Molecular Weight366.38 g/mol
Exact Mass366.12
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine
SMILESNc1ncc(-c2cccc3cccnc23)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H14N6O/c22-19-18(21-27-26-20(28-21)14-6-2-1-3-7-14)25-16(12-24-19)15-10-4-8-13-9-5-11-23-17(13)15/h1-12H,(H2,22,24)
InChIKeyOVKVTYSAUDFAOV-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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Related Compounds

5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-(quinolin-3-yl)-1,3,4-oxadiazol-2-amine
CID 23644870
N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57393820
5-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 54672750
4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethyl-benzamide
CID 59471612
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 59471680
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59471699
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
CID 59471711
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone
CID 59471799
4-[5-amino-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471830
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-(1,4-diazepan-1-yl)methanone
CID 59471882
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59471901
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59471920

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine (CID 59472113) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine is Nc1ncc(-c2cccc3cccnc23)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine?
The InChIKey is OVKVTYSAUDFAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O/c22-19-18(21-27-26-20(28-21)14-6-2-1-3-7-14)25-16(12-24-19)15-10-4-8-13-9-5-11-23-17(13)15/h1-12H,(H2,22,24).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-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-8-ylpyrazin-2-amine is sourced from PubChem (CID 59472113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).