N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C90H92F6IN15O15S3 — CID 159397764

About N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 159397764) has the molecular formula C90H92F6IN15O15S3 and a molecular weight of 1960.91 g/mol. Its IUPAC name is N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• PubChem CID: 159397764
• Molecular Formula: C90H92F6IN15O15S3
• Molecular Weight: 1960.91 g/mol
• Exact Mass: 1959.50
• IUPAC Name: N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• SMILES: CC(=O)Nc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1cc(-c2ccc(CN(C(=O)C(F)(F)F)C3CCOCC3)cc2)no1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCOCC5)cc4)no3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3onc(-c4ccc(CN(C(=O)C(F)(F)F)C5CCOCC5)cc4)c3I)n2)cc1
• InChI: InChI=1S/C32H32F3N5O6S.C30H29F3IN5O5S.C28H31N5O4S/c1-19(2)47(43,44)25-10-8-23(9-11-25)27-17-36-30(37-20(3)41)29(38-27)28-16-26(39-46-28)22-6-4-21(5-7-22)18-40(31(42)32(33,34)35)24-12-14-45-15-13-24;1-17(2)45(41,42)22-9-7-19(8-10-22)23-15-36-28(35)26(37-23)27-24(34)25(38-44-27)20-5-3-18(4-6-20)16-39(29(40)30(31,32)33)21-11-13-43-14-12-21;1-18(2)38(34,35)23-9-7-21(8-10-23)25-17-31-28(29)27(32-25)26-15-24(33-37-26)20-5-3-19(4-6-20)16-30-22-11-13-36-14-12-22/h4-11,16-17,19,24H,12-15,18H2,1-3H3,(H,36,37,41);3-10,15,17,21H,11-14,16H2,1-2H3,(H2,35,36);3-10,15,17-18,22,30H,11-14,16H2,1-2H3,(H2,29,31)
• InChIKey: LMYIEGDZIWQVHT-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 419.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.91
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The IUPAC name of N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 159397764) is N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

What is the SMILES notation for N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The canonical SMILES for N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(=O)Nc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1cc(-c2ccc(CN(C(=O)C(F)(F)F)C3CCOCC3)cc2)no1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCOCC5)cc4)no3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3onc(-c4ccc(CN(C(=O)C(F)(F)F)C5CCOCC5)cc4)c3I)n2)cc1.

What is the InChIKey of N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The InChIKey is LMYIEGDZIWQVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O6S.C30H29F3IN5O5S.C28H31N5O4S/c1-19(2)47(43,44)25-10-8-23(9-11-25)27-17-36-30(37-20(3)41)29(38-27)28-16-26(39-46-28)22-6-4-21(5-7-22)18-40(31(42)32(33,34)35)24-12-14-45-15-13-24;1-17(2)45(41,42)22-9-7-19(8-10-22)23-15-36-28(35)26(37-23)27-24(34)25(38-44-27)20-5-3-18(4-6-20)16-39(29(40)30(31,32)33)21-11-13-43-14-12-21;1-18(2)38(34,35)23-9-7-21(8-10-23)25-17-31-28(29)27(32-25)26-15-24(33-37-26)20-5-3-19(4-6-20)16-30-22-11-13-36-14-12-22/h4-11,16-17,19,24H,12-15,18H2,1-3H3,(H,36,37,41);3-10,15,17,21H,11-14,16H2,1-2H3,(H2,35,36);3-10,15,17-18,22,30H,11-14,16H2,1-2H3,(H2,29,31).

What are the key properties of N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 1960.91 g/mol, XLogP of 16.08, 25 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-[3-acetamido-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-4-iodo-1,2-oxazol-3-yl]phenyl]methyl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide;3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 159397764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).