3-(1,3-benzoxazol-2-yl)pyrazin-2-amine

C11H8N4O — CID 67388669

IUPAC3-(1,3-benzoxazol-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nc2ccccc2o1
InChIInChI=1S/C11H8N4O/c12-10-9(13-5-6-14-10)11-15-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,14)
InChIKeyHJGIOFGHABSJAB-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.87
Rot. Bonds1

About 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine

3-(1,3-benzoxazol-2-yl)pyrazin-2-amine (PubChem CID 67388669) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)pyrazin-2-amine
PubChem CID67388669
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name3-(1,3-benzoxazol-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nc2ccccc2o1
InChIInChI=1S/C11H8N4O/c12-10-9(13-5-6-14-10)11-15-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,14)
InChIKeyHJGIOFGHABSJAB-UHFFFAOYSA-N
XLogP1.87
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798176
3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine
CID 67388957
4-(1,3-benzoxazol-2-yl)-2,3,5,6-tetrafluoroaniline
CID 11129738
2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole
CID 123961416
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(1H-indazol-3-yl)-1,3-benzoxazole
CID 66524515
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine (CID 67388669) is 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine is Nc1nccnc1-c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine?
The InChIKey is HJGIOFGHABSJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-10-9(13-5-6-14-10)11-15-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,14).
What are the key properties of 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine?
3-(1,3-benzoxazol-2-yl)pyrazin-2-amine has a molecular weight of 212.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 67388669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).