3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide
C58H63N19O9 — CID 162112103
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnccn3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2)no1.Cc1cnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cn1
InChIInChI=1S/C20H22N6O3.C19H21N7O3.C19H20N6O3/c1-12-10-22-15(11-21-12)18(27)23-13-5-7-14(8-6-13)24-19(28)25-17-9-16(29-26-17)20(2,3)4;1-19(2,3)13-10-14(26-29-13)25-18(28)24-12-6-4-11(5-7-12)23-17(27)15-16(20)22-9-8-21-15;1-19(2,3)15-10-16(25-28-15)24-18(27)23-13-6-4-12(5-7-13)22-17(26)14-11-20-8-9-21-14/h5-11H,1-4H3,(H,23,27)(H2,24,25,26,28);4-10H,1-3H3,(H2,20,22)(H,23,27)(H2,24,25,26,28);4-11H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyZGHBNSNMCUMJPQ-UHFFFAOYSA-N
MW1170.27 g/mol
LogP10.87
Rot. Bonds12
About 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide
3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide (PubChem CID 162112103) has the molecular formula C58H63N19O9 and a molecular weight of 1170.27 g/mol. Its IUPAC name is 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide.
Molecular Properties
| Compound Name | 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 162112103 |
| Molecular Formula | C58H63N19O9 |
| Molecular Weight | 1170.27 g/mol |
| Exact Mass | 1169.51 |
| IUPAC Name | 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide |
| SMILES | CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnccn3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2)no1.Cc1cnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cn1 |
| InChI | InChI=1S/C20H22N6O3.C19H21N7O3.C19H20N6O3/c1-12-10-22-15(11-21-12)18(27)23-13-5-7-14(8-6-13)24-19(28)25-17-9-16(29-26-17)20(2,3)4;1-19(2,3)13-10-14(26-29-13)25-18(28)24-12-6-4-11(5-7-12)23-17(27)15-16(20)22-9-8-21-15;1-19(2,3)15-10-16(25-28-15)24-18(27)23-13-6-4-12(5-7-13)22-17(26)14-11-20-8-9-21-14/h5-11H,1-4H3,(H,23,27)(H2,24,25,26,28);4-10H,1-3H3,(H2,20,22)(H,23,27)(H2,24,25,26,28);4-11H,1-3H3,(H,22,26)(H2,23,24,25,27) |
| InChIKey | ZGHBNSNMCUMJPQ-UHFFFAOYSA-N |
| XLogP | 10.87 |
| TPSA | 392.14 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 86 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1170.27 |
| LogP ≤ 5 | 10.87 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 19 |
Frequently Asked Questions
What is the IUPAC name of 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide (CID 162112103) is 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnccn3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2)no1.Cc1cnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cn1.
What is the InChIKey of 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide?
The InChIKey is ZGHBNSNMCUMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3.C19H21N7O3.C19H20N6O3/c1-12-10-22-15(11-21-12)18(27)23-13-5-7-14(8-6-13)24-19(28)25-17-9-16(29-26-17)20(2,3)4;1-19(2,3)13-10-14(26-29-13)25-18(28)24-12-6-4-11(5-7-12)23-17(27)15-16(20)22-9-8-21-15;1-19(2,3)15-10-16(25-28-15)24-18(27)23-13-6-4-12(5-7-13)22-17(26)14-11-20-8-9-21-14/h5-11H,1-4H3,(H,23,27)(H2,24,25,26,28);4-10H,1-3H3,(H2,20,22)(H,23,27)(H2,24,25,26,28);4-11H,1-3H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide?
3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide has a molecular weight of 1170.27 g/mol, XLogP of 10.87, 12 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 162112103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 162112103 — identifiers, structure, computed properties (public domain)
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