N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide
C123H95F6N21O12S — CID 158020330
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide
SMILESCc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2sncc2C)nc1.Cc1cc2c(C)noc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1cc2c(C)noc2cc1-c1cnc(NC(=O)c2ccccc2F)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3onc(C)c3cc2C)cn1
InChIInChI=1S/C22H19N3O2.C21H15F2N3O2.C21H16FN3O2.C20H14F2N4O2.C20H15FN4O2.C19H16N4O2S/c1-13-6-4-5-7-17(13)22(26)24-21-9-8-16(12-23-21)18-11-20-19(10-14(18)2)15(3)25-27-20;1-11-8-15-12(2)26-28-18(15)9-14(11)13-6-7-19(24-10-13)25-21(27)20-16(22)4-3-5-17(20)23;1-12-9-17-13(2)25-27-19(17)10-16(12)14-7-8-20(23-11-14)24-21(26)15-5-3-4-6-18(15)22;1-10-6-13-11(2)26-28-17(13)7-12(10)16-8-24-18(9-23-16)25-20(27)19-14(21)4-3-5-15(19)22;1-11-7-15-12(2)25-27-18(15)8-14(11)17-9-23-19(10-22-17)24-20(26)13-5-3-4-6-16(13)21;1-10-6-15-12(3)23-25-16(15)7-14(10)13-4-5-17(20-9-13)22-19(24)18-11(2)8-21-26-18/h4-12H,1-3H3,(H,23,24,26);3-10H,1-2H3,(H,24,25,27);3-11H,1-2H3,(H,23,24,26);3-9H,1-2H3,(H,24,25,27);3-10H,1-2H3,(H,23,24,26);4-9H,1-3H3,(H,20,22,24)
InChIKeyFFZFMPUVEMMEBV-UHFFFAOYSA-N
MW2205.30 g/mol
LogP28.25
Rot. Bonds18
About N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide
N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide (PubChem CID 158020330) has the molecular formula C123H95F6N21O12S and a molecular weight of 2205.30 g/mol. Its IUPAC name is N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide.
Molecular Properties
| Compound Name | N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide |
|---|---|
| PubChem CID | 158020330 |
| Molecular Formula | C123H95F6N21O12S |
| Molecular Weight | 2205.30 g/mol |
| Exact Mass | 2203.71 |
| IUPAC Name | N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide |
| SMILES | Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2sncc2C)nc1.Cc1cc2c(C)noc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1cc2c(C)noc2cc1-c1cnc(NC(=O)c2ccccc2F)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3onc(C)c3cc2C)cn1 |
| InChI | InChI=1S/C22H19N3O2.C21H15F2N3O2.C21H16FN3O2.C20H14F2N4O2.C20H15FN4O2.C19H16N4O2S/c1-13-6-4-5-7-17(13)22(26)24-21-9-8-16(12-23-21)18-11-20-19(10-14(18)2)15(3)25-27-20;1-11-8-15-12(2)26-28-18(15)9-14(11)13-6-7-19(24-10-13)25-21(27)20-16(22)4-3-5-17(20)23;1-12-9-17-13(2)25-27-19(17)10-16(12)14-7-8-20(23-11-14)24-21(26)15-5-3-4-6-18(15)22;1-10-6-13-11(2)26-28-17(13)7-12(10)16-8-24-18(9-23-16)25-20(27)19-14(21)4-3-5-15(19)22;1-11-7-15-12(2)25-27-18(15)8-14(11)17-9-23-19(10-22-17)24-20(26)13-5-3-4-6-16(13)21;1-10-6-15-12(3)23-25-16(15)7-14(10)13-4-5-17(20-9-13)22-19(24)18-11(2)8-21-26-18/h4-12H,1-3H3,(H,23,24,26);3-10H,1-2H3,(H,24,25,27);3-11H,1-2H3,(H,23,24,26);3-9H,1-2H3,(H,24,25,27);3-10H,1-2H3,(H,23,24,26);4-9H,1-3H3,(H,20,22,24) |
| InChIKey | FFZFMPUVEMMEBV-UHFFFAOYSA-N |
| XLogP | 28.25 |
| TPSA | 446.79 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 163 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2205.30 |
| LogP ≤ 5 | 28.25 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide (CID 158020330) is N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide is Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2c(C)noc2cc1-c1ccc(NC(=O)c2sncc2C)nc1.Cc1cc2c(C)noc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1cc2c(C)noc2cc1-c1cnc(NC(=O)c2ccccc2F)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3onc(C)c3cc2C)cn1.
What is the InChIKey of N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide?
The InChIKey is FFZFMPUVEMMEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.C21H15F2N3O2.C21H16FN3O2.C20H14F2N4O2.C20H15FN4O2.C19H16N4O2S/c1-13-6-4-5-7-17(13)22(26)24-21-9-8-16(12-23-21)18-11-20-19(10-14(18)2)15(3)25-27-20;1-11-8-15-12(2)26-28-18(15)9-14(11)13-6-7-19(24-10-13)25-21(27)20-16(22)4-3-5-17(20)23;1-12-9-17-13(2)25-27-19(17)10-16(12)14-7-8-20(23-11-14)24-21(26)15-5-3-4-6-18(15)22;1-10-6-13-11(2)26-28-17(13)7-12(10)16-8-24-18(9-23-16)25-20(27)19-14(21)4-3-5-15(19)22;1-11-7-15-12(2)25-27-18(15)8-14(11)17-9-23-19(10-22-17)24-20(26)13-5-3-4-6-16(13)21;1-10-6-15-12(3)23-25-16(15)7-14(10)13-4-5-17(20-9-13)22-19(24)18-11(2)8-21-26-18/h4-12H,1-3H3,(H,23,24,26);3-10H,1-2H3,(H,24,25,27);3-11H,1-2H3,(H,23,24,26);3-9H,1-2H3,(H,24,25,27);3-10H,1-2H3,(H,23,24,26);4-9H,1-3H3,(H,20,22,24).
What are the key properties of N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide?
N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide has a molecular weight of 2205.30 g/mol, XLogP of 28.25, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 158020330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158020330 — identifiers, structure, computed properties (public domain)
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