5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

C130H152F4N16O22 — CID 158912518

About 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (PubChem CID 158912518) has the molecular formula C130H152F4N16O22 and a molecular weight of 2366.73 g/mol. Its IUPAC name is 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 158912518
• Molecular Formula: C130H152F4N16O22
• Molecular Weight: 2366.73 g/mol
• Exact Mass: 2365.12
• IUPAC Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
• SMILES: CC(C)c1cc(-c2onc(C(=O)NCC(F)(F)F)c2-c2ccc3c(c2)CCN(C)C3)c(O)cc1O.CC(C)c1cc(-c2onc(C(=O)NCCF)c2-c2ccc3c(c2)CCN(C)C3)c(O)cc1O.CC(C)c1cc(-c2onc(C(=O)NCCN(C)C)c2-c2ccc3c(c2)CCN(C)C3)c(O)cc1O.COCCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(C)C2.COCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(C)C2
• InChI: InChI=1S/C27H34N4O4.C27H33N3O5.C26H31N3O5.C25H26F3N3O4.C25H28FN3O4/c1-16(2)20-13-21(23(33)14-22(20)32)26-24(25(29-35-26)27(34)28-9-11-30(3)4)18-6-7-19-15-31(5)10-8-17(19)12-18;1-16(2)20-13-21(23(32)14-22(20)31)26-24(25(29-35-26)27(33)28-9-5-11-34-4)18-6-7-19-15-30(3)10-8-17(19)12-18;1-15(2)19-12-20(22(31)13-21(19)30)25-23(24(28-34-25)26(32)27-8-10-33-4)17-5-6-18-14-29(3)9-7-16(18)11-17;1-13(2)17-9-18(20(33)10-19(17)32)23-21(22(30-35-23)24(34)29-12-25(26,27)28)15-4-5-16-11-31(3)7-6-14(16)8-15;1-14(2)18-11-19(21(31)12-20(18)30)24-22(23(28-33-24)25(32)27-8-7-26)16-4-5-17-13-29(3)9-6-15(17)10-16/h6-7,12-14,16,32-33H,8-11,15H2,1-5H3,(H,28,34);6-7,12-14,16,31-32H,5,8-11,15H2,1-4H3,(H,28,33);5-6,11-13,15,30-31H,7-10,14H2,1-4H3,(H,27,32);4-5,8-10,13,32-33H,6-7,11-12H2,1-3H3,(H,29,34);4-5,10-12,14,30-31H,6-9,13H2,1-3H3,(H,27,32)
• InChIKey: JGVDLNYZPPFHAB-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 515.85 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.73
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (CID 158912518) is 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is CC(C)c1cc(-c2onc(C(=O)NCC(F)(F)F)c2-c2ccc3c(c2)CCN(C)C3)c(O)cc1O.CC(C)c1cc(-c2onc(C(=O)NCCF)c2-c2ccc3c(c2)CCN(C)C3)c(O)cc1O.CC(C)c1cc(-c2onc(C(=O)NCCN(C)C)c2-c2ccc3c(c2)CCN(C)C3)c(O)cc1O.COCCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(C)C2.COCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(C)C2.

What is the InChIKey of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?

The InChIKey is JGVDLNYZPPFHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4.C27H33N3O5.C26H31N3O5.C25H26F3N3O4.C25H28FN3O4/c1-16(2)20-13-21(23(33)14-22(20)32)26-24(25(29-35-26)27(34)28-9-11-30(3)4)18-6-7-19-15-31(5)10-8-17(19)12-18;1-16(2)20-13-21(23(32)14-22(20)31)26-24(25(29-35-26)27(33)28-9-5-11-34-4)18-6-7-19-15-30(3)10-8-17(19)12-18;1-15(2)19-12-20(22(31)13-21(19)30)25-23(24(28-34-25)26(32)27-8-10-33-4)17-5-6-18-14-29(3)9-7-16(18)11-17;1-13(2)17-9-18(20(33)10-19(17)32)23-21(22(30-35-23)24(34)29-12-25(26,27)28)15-4-5-16-11-31(3)7-6-14(16)8-15;1-14(2)18-11-19(21(31)12-20(18)30)24-22(23(28-33-24)25(32)27-8-7-26)16-4-5-17-13-29(3)9-6-15(17)10-16/h6-7,12-14,16,32-33H,8-11,15H2,1-5H3,(H,28,34);6-7,12-14,16,31-32H,5,8-11,15H2,1-4H3,(H,28,33);5-6,11-13,15,30-31H,7-10,14H2,1-4H3,(H,27,32);4-5,8-10,13,32-33H,6-7,11-12H2,1-3H3,(H,29,34);4-5,10-12,14,30-31H,6-9,13H2,1-3H3,(H,27,32).

What are the key properties of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?

5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 2366.73 g/mol, XLogP of 21.08, 33 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[2-(dimethylamino)ethyl]-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-fluoroethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-methoxyethyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158912518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).