4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine

C76H75ClF3N17O14S2 — CID 157144279

About 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine

4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine (PubChem CID 157144279) has the molecular formula C76H75ClF3N17O14S2 and a molecular weight of 1607.12 g/mol. Its IUPAC name is 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine.

Molecular Properties

• Compound Name: 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine
• PubChem CID: 157144279
• Molecular Formula: C76H75ClF3N17O14S2
• Molecular Weight: 1607.12 g/mol
• Exact Mass: 1605.48
• IUPAC Name: 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine
• SMILES: C1COCCN1.CS(=O)(=O)Cl.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C#CCCN5CCOCC5)cnc4n3)c2)o1.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C#CCCO)cnc4n3)c2)o1.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C#CCCOS(C)(=O)=O)cnc4n3)c2)o1
• InChI: InChI=1S/C26H25FN6O3.C23H20FN5O5S.C22H18FN5O3.C4H9NO.CH3ClO2S/c1-17-24(36-18(2)29-17)25(34)30-20-6-7-22(27)21(13-20)23-16-33-15-19(14-28-26(33)31-23)5-3-4-8-32-9-11-35-12-10-32;1-14-21(34-15(2)26-14)22(30)27-17-7-8-19(24)18(10-17)20-13-29-12-16(11-25-23(29)28-20)6-4-5-9-33-35(3,31)32;1-13-20(31-14(2)25-13)21(30)26-16-6-7-18(23)17(9-16)19-12-28-11-15(5-3-4-8-29)10-24-22(28)27-19;1-3-6-4-2-5-1;1-5(2,3)4/h6-7,13-16H,4,8-12H2,1-2H3,(H,30,34);7-8,10-13H,5,9H2,1-3H3,(H,27,30);6-7,9-12,29H,4,8H2,1-2H3,(H,26,30);5H,1-4H2;1H3
• InChIKey: AKNOGAAKCOFPQO-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 387.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1607.12
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine?

The IUPAC name of 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine (CID 157144279) is 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine.

What is the SMILES notation for 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine?

The canonical SMILES for 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine is C1COCCN1.CS(=O)(=O)Cl.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C#CCCN5CCOCC5)cnc4n3)c2)o1.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C#CCCO)cnc4n3)c2)o1.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C#CCCOS(C)(=O)=O)cnc4n3)c2)o1.

What is the InChIKey of 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine?

The InChIKey is AKNOGAAKCOFPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3.C23H20FN5O5S.C22H18FN5O3.C4H9NO.CH3ClO2S/c1-17-24(36-18(2)29-17)25(34)30-20-6-7-22(27)21(13-20)23-16-33-15-19(14-28-26(33)31-23)5-3-4-8-32-9-11-35-12-10-32;1-14-21(34-15(2)26-14)22(30)27-17-7-8-19(24)18(10-17)20-13-29-12-16(11-25-23(29)28-20)6-4-5-9-33-35(3,31)32;1-13-20(31-14(2)25-13)21(30)26-16-6-7-18(23)17(9-16)19-12-28-11-15(5-3-4-8-29)10-24-22(28)27-19;1-3-6-4-2-5-1;1-5(2,3)4/h6-7,13-16H,4,8-12H2,1-2H3,(H,30,34);7-8,10-13H,5,9H2,1-3H3,(H,27,30);6-7,9-12,29H,4,8H2,1-2H3,(H,26,30);5H,1-4H2;1H3.

What are the key properties of 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine?

4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine has a molecular weight of 1607.12 g/mol, XLogP of 9.49, 15 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]but-3-ynyl methanesulfonate;N-[4-fluoro-3-[6-(4-hydroxybut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-fluoro-3-[6-(4-morpholin-4-ylbut-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;methanesulfonyl chloride;morpholine is sourced from PubChem (CID 157144279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).