deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

C100H128FN9O14 — CID 157303401

About deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 157303401) has the molecular formula C100H128FN9O14 and a molecular weight of 1700.18 g/mol. Its IUPAC name is deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
• PubChem CID: 157303401
• Molecular Formula: C100H128FN9O14
• Molecular Weight: 1700.18 g/mol
• Exact Mass: 1698.96
• IUPAC Name: deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
• SMILES: C.C.COCCCN.COCCCNC(=O)c1noc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1-c1ccc2c(c1)CCN(C)C2.COCCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(C)C2.Cc1cc(OCc2ccccc2)c(-c2onc(C(=O)O)c2-c2ccc3c(c2)CCN(C)C3)cc1C(C)C.[2H]CF
• InChI: InChI=1S/C35H41N3O4.C31H32N2O4.C27H33N3O5.C4H11NO.CH3F.2CH4/c1-23(2)29-20-30(31(18-24(29)3)41-22-25-10-7-6-8-11-25)34-32(33(37-42-34)35(39)36-15-9-17-40-5)27-12-13-28-21-38(4)16-14-26(28)19-27;1-19(2)25-16-26(27(14-20(25)3)36-18-21-8-6-5-7-9-21)30-28(29(31(34)35)32-37-30)23-10-11-24-17-33(4)13-12-22(24)15-23;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;1-6-4-2-3-5;1-2;;/h6-8,10-13,18-20,23H,9,14-17,21-22H2,1-5H3,(H,36,39);5-11,14-16,19H,12-13,17-18H2,1-4H3,(H,34,35);6-7,12-14,16,31-32H,5,8-11,15H2,1-4H3,(H,28,33);2-5H2,1H3;1H3;2*1H4/i;;;;1D
• InChIKey: BCDYCUPIHFQNDY-VOEPQHRLSA-N
• XLogP: 19.62
• TPSA: 295.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1700.18
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?

The IUPAC name of deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (CID 157303401) is deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is C.C.COCCCN.COCCCNC(=O)c1noc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1-c1ccc2c(c1)CCN(C)C2.COCCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(C)C2.Cc1cc(OCc2ccccc2)c(-c2onc(C(=O)O)c2-c2ccc3c(c2)CCN(C)C3)cc1C(C)C.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?

The InChIKey is BCDYCUPIHFQNDY-VOEPQHRLSA-N. The full InChI is InChI=1S/C35H41N3O4.C31H32N2O4.C27H33N3O5.C4H11NO.CH3F.2CH4/c1-23(2)29-20-30(31(18-24(29)3)41-22-25-10-7-6-8-11-25)34-32(33(37-42-34)35(39)36-15-9-17-40-5)27-12-13-28-21-38(4)16-14-26(28)19-27;1-19(2)25-16-26(27(14-20(25)3)36-18-21-8-6-5-7-9-21)30-28(29(31(34)35)32-37-30)23-10-11-24-17-33(4)13-12-22(24)15-23;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;1-6-4-2-3-5;1-2;;/h6-8,10-13,18-20,23H,9,14-17,21-22H2,1-5H3,(H,36,39);5-11,14-16,19H,12-13,17-18H2,1-4H3,(H,34,35);6-7,12-14,16,31-32H,5,8-11,15H2,1-4H3,(H,28,33);2-5H2,1H3;1H3;2*1H4/i;;;;1D;;.

What are the key properties of deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?

deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 1700.18 g/mol, XLogP of 19.62, 29 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;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;methane;3-methoxypropan-1-amine;N-(3-methoxypropyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 157303401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).