5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine

C21H14FN5O — CID 161326912

IUPAC5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3c(c2)C(c2cncc(-c4cccc(F)c4)n2)=CC3)o1
InChIInChI=1S/C21H14FN5O/c22-15-3-1-2-13(8-15)18-10-24-11-19(25-18)16-7-6-12-4-5-14(9-17(12)16)20-26-27-21(23)28-20/h1-5,7-11H,6H2,(H2,23,27)
InChIKeyVKWVRMUEGUEIPS-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.90
Rot. Bonds3

About 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine

5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 161326912) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID161326912
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC Name5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3c(c2)C(c2cncc(-c4cccc(F)c4)n2)=CC3)o1
InChIInChI=1S/C21H14FN5O/c22-15-3-1-2-13(8-15)18-10-24-11-19(25-18)16-7-6-12-4-5-14(9-17(12)16)20-26-27-21(23)28-20/h1-5,7-11H,6H2,(H2,23,27)
InChIKeyVKWVRMUEGUEIPS-UHFFFAOYSA-N
XLogP3.90
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine (CID 161326912) is 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3c(c2)C(c2cncc(-c4cccc(F)c4)n2)=CC3)o1.
What is the InChIKey of 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VKWVRMUEGUEIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c22-15-3-1-2-13(8-15)18-10-24-11-19(25-18)16-7-6-12-4-5-14(9-17(12)16)20-26-27-21(23)28-20/h1-5,7-11H,6H2,(H2,23,27).
What are the key properties of 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 371.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(3-fluorophenyl)pyrazin-2-yl]-1H-inden-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 161326912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).