N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide

C169H163N35O22 — CID 162000973

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide (PubChem CID 162000973) has the molecular formula C169H163N35O22 and a molecular weight of 3036.39 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide
• PubChem CID: 162000973
• Molecular Formula: C169H163N35O22
• Molecular Weight: 3036.39 g/mol
• Exact Mass: 3034.27
• IUPAC Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccnc4ccccc34)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnc4ccccc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnc4ccccc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnc4ccccc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccc4ccccc34)cc2)no1.COc1cc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)nc2ccccc12
• InChI: InChI=1S/C25H25N5O4.6C24H23N5O3/c1-25(2,3)21-14-22(30-34-21)29-24(32)27-16-11-9-15(10-12-16)26-23(31)19-13-20(33-4)17-7-5-6-8-18(17)28-19;1-24(2,3)20-14-21(29-32-20)28-23(31)26-17-11-9-16(10-12-17)25-22(30)19-13-8-15-6-4-5-7-18(15)27-19;3*1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)16-12-15-6-4-5-7-19(15)25-14-16;1-24(2,3)20-14-21(29-32-20)28-23(31)27-16-10-8-15(9-11-16)26-22(30)18-12-13-25-19-7-5-4-6-17(18)19;1-24(2,3)19-14-20(29-32-19)28-23(31)27-17-10-8-16(9-11-17)26-22(30)21-18-7-5-4-6-15(18)12-13-25-21/h5-14H,1-4H3,(H,26,31)(H2,27,29,30,32);4-14H,1-3H3,(H,25,30)(H2,26,28,29,31);5*4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
• InChIKey: YSEYZQHLRQQTLK-UHFFFAOYSA-N
• XLogP: 37.92
• TPSA: 773.28 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3036.39
LogP ≤ 5	37.92
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide?

The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide (CID 162000973) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide.

What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide?

The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccnc4ccccc34)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnc4ccccc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnc4ccccc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnc4ccccc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccc4ccccc34)cc2)no1.COc1cc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)nc2ccccc12.

What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide?

The InChIKey is YSEYZQHLRQQTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4.6C24H23N5O3/c1-25(2,3)21-14-22(30-34-21)29-24(32)27-16-11-9-15(10-12-16)26-23(31)19-13-20(33-4)17-7-5-6-8-18(17)28-19;1-24(2,3)20-14-21(29-32-20)28-23(31)26-17-11-9-16(10-12-17)25-22(30)19-13-8-15-6-4-5-7-18(15)27-19;3*1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)16-12-15-6-4-5-7-19(15)25-14-16;1-24(2,3)20-14-21(29-32-20)28-23(31)27-16-10-8-15(9-11-16)26-22(30)18-12-13-25-19-7-5-4-6-17(18)19;1-24(2,3)19-14-20(29-32-19)28-23(31)27-17-10-8-16(9-11-17)26-22(30)21-18-7-5-4-6-15(18)12-13-25-21/h5-14H,1-4H3,(H,26,31)(H2,27,29,30,32);4-14H,1-3H3,(H,25,30)(H2,26,28,29,31);5*4-14H,1-3H3,(H,26,30)(H2,27,28,29,31).

What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide?

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide has a molecular weight of 3036.39 g/mol, XLogP of 37.92, 29 rotatable bonds, 21 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]isoquinoline-1-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methoxyquinoline-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-2-carboxamide;tris(N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide);N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 162000973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).