3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C14H11N5O — CID 141270544

IUPAC3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESC=Cc1ccc(-c2nnc(-c3nccnc3N)o2)cc1
InChIInChI=1S/C14H11N5O/c1-2-9-3-5-10(6-4-9)13-18-19-14(20-13)11-12(15)17-8-7-16-11/h2-8H,1H2,(H2,15,17)
InChIKeyTYBXBIUIKXGJFP-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.42
Rot. Bonds3

About 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 141270544) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID141270544
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESC=Cc1ccc(-c2nnc(-c3nccnc3N)o2)cc1
InChIInChI=1S/C14H11N5O/c1-2-9-3-5-10(6-4-9)13-18-19-14(20-13)11-12(15)17-8-7-16-11/h2-8H,1H2,(H2,15,17)
InChIKeyTYBXBIUIKXGJFP-UHFFFAOYSA-N
XLogP2.42
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 141270544) is 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is C=Cc1ccc(-c2nnc(-c3nccnc3N)o2)cc1.
What is the InChIKey of 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is TYBXBIUIKXGJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-2-9-3-5-10(6-4-9)13-18-19-14(20-13)11-12(15)17-8-7-16-11/h2-8H,1H2,(H2,15,17).
What are the key properties of 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 265.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 141270544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).