(1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine

C24H25N5O3S — CID 147454838

About (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine

(1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine (PubChem CID 147454838) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine.

Molecular Properties

• Compound Name: (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine
• PubChem CID: 147454838
• Molecular Formula: C24H25N5O3S
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.17
• IUPAC Name: (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine
• SMILES: Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2cccc([C@H](C)N)c2)o1
• InChI: InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)20-10-8-17(9-11-20)21-13-26-16(4)22(27-21)24-29-28-23(32-24)19-7-5-6-18(12-19)15(3)25/h5-15H,25H2,1-4H3/t15-/m0/s1
• InChIKey: DYTRXDDSGUZDAY-HNNXBMFYSA-N
• XLogP: 4.37
• TPSA: 124.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine?

The IUPAC name of (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine (CID 147454838) is (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine.

What is the SMILES notation for (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine?

The canonical SMILES for (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine is Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2cccc([C@H](C)N)c2)o1.

What is the InChIKey of (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine?

The InChIKey is DYTRXDDSGUZDAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)20-10-8-17(9-11-20)21-13-26-16(4)22(27-21)24-29-28-23(32-24)19-7-5-6-18(12-19)15(3)25/h5-15H,25H2,1-4H3/t15-/m0/s1.

What are the key properties of (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine?

(1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine has a molecular weight of 463.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine is sourced from PubChem (CID 147454838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).