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

C25H26N6O3S — CID 59472182

IUPAC5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(C5CCCN5)c4)o3)n2)cc1
InChIInChI=1S/C25H26N6O3S/c1-15(2)35(32,33)19-10-8-16(9-11-19)21-14-28-23(26)22(29-21)25-31-30-24(34-25)18-6-3-5-17(13-18)20-7-4-12-27-20/h3,5-6,8-11,13-15,20,27H,4,7,12H2,1-2H3,(H2,26,28)
InChIKeyKXPFBQSHLNFXTA-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.05
Rot. Bonds6

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

5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59472182) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID59472182
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(C5CCCN5)c4)o3)n2)cc1
InChIInChI=1S/C25H26N6O3S/c1-15(2)35(32,33)19-10-8-16(9-11-19)21-14-28-23(26)22(29-21)25-31-30-24(34-25)18-6-3-5-17(13-18)20-7-4-12-27-20/h3,5-6,8-11,13-15,20,27H,4,7,12H2,1-2H3,(H2,26,28)
InChIKeyKXPFBQSHLNFXTA-UHFFFAOYSA-N
XLogP4.05
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59472182) is 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(C5CCCN5)c4)o3)n2)cc1.
What is the InChIKey of 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is KXPFBQSHLNFXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-15(2)35(32,33)19-10-8-16(9-11-19)21-14-28-23(26)22(29-21)25-31-30-24(34-25)18-6-3-5-17(13-18)20-7-4-12-27-20/h3,5-6,8-11,13-15,20,27H,4,7,12H2,1-2H3,(H2,26,28).
What are the key properties of 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 490.59 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(3-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59472182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).