3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine

C24H25N5O2S — CID 135270145

IUPAC3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
SMILESCC(C)c1cccc(-c2nnc(-c3nc(-c4ccc(S(=O)C(C)C)cc4)cnc3N)o2)c1
InChIInChI=1S/C24H25N5O2S/c1-14(2)17-6-5-7-18(12-17)23-28-29-24(31-23)21-22(25)26-13-20(27-21)16-8-10-19(11-9-16)32(30)15(3)4/h5-15H,1-4H3,(H2,25,26)
InChIKeyBOPFELUSSJKHCI-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.08
Rot. Bonds6

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

3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine (PubChem CID 135270145) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
PubChem CID135270145
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
SMILESCC(C)c1cccc(-c2nnc(-c3nc(-c4ccc(S(=O)C(C)C)cc4)cnc3N)o2)c1
InChIInChI=1S/C24H25N5O2S/c1-14(2)17-6-5-7-18(12-17)23-28-29-24(31-23)21-22(25)26-13-20(27-21)16-8-10-19(11-9-16)32(30)15(3)4/h5-15H,1-4H3,(H2,25,26)
InChIKeyBOPFELUSSJKHCI-UHFFFAOYSA-N
XLogP5.08
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine (CID 135270145) is 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine is CC(C)c1cccc(-c2nnc(-c3nc(-c4ccc(S(=O)C(C)C)cc4)cnc3N)o2)c1.
What is the InChIKey of 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?
The InChIKey is BOPFELUSSJKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-14(2)17-6-5-7-18(12-17)23-28-29-24(31-23)21-22(25)26-13-20(27-21)16-8-10-19(11-9-16)32(30)15(3)4/h5-15H,1-4H3,(H2,25,26).
What are the key properties of 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?
3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine has a molecular weight of 447.56 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine is sourced from PubChem (CID 135270145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).