N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide

C94H90N22O12 — CID 157237174

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;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]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide (PubChem CID 157237174) has the molecular formula C94H90N22O12 and a molecular weight of 1719.90 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide
• PubChem CID: 157237174
• Molecular Formula: C94H90N22O12
• Molecular Weight: 1719.90 g/mol
• Exact Mass: 1718.71
• IUPAC Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc4cnccc4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnc4ccccc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnnc4ccccc34)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccc4ccccc34)cc2)no1
• InChI: InChI=1S/2C24H23N5O3.2C23H22N6O3/c1-24(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)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;1-23(2,3)19-12-20(29-32-19)28-22(31)26-16-7-5-15(6-8-16)25-21(30)18-9-4-14-13-24-11-10-17(14)27-18;1-23(2,3)19-12-20(29-32-19)27-22(31)26-15-10-8-14(9-11-15)25-21(30)17-13-24-28-18-7-5-4-6-16(17)18/h2*4-14H,1-3H3,(H,26,30)(H2,27,28,29,31);4-13H,1-3H3,(H,25,30)(H2,26,28,29,31);4-13H,1-3H3,(H,25,30)(H2,26,27,29,31)
• InChIKey: AUTSLPCKBQLDQF-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 462.38 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1719.90
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide?

The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide (CID 157237174) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide.

What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide?

The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc4cnccc4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnc4ccccc4c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnnc4ccccc34)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccc4ccccc34)cc2)no1.

What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide?

The InChIKey is AUTSLPCKBQLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23N5O3.2C23H22N6O3/c1-24(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)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;1-23(2,3)19-12-20(29-32-19)28-22(31)26-16-7-5-15(6-8-16)25-21(30)18-9-4-14-13-24-11-10-17(14)27-18;1-23(2,3)19-12-20(29-32-19)27-22(31)26-15-10-8-14(9-11-15)25-21(30)17-13-24-28-18-7-5-4-6-16(17)18/h2*4-14H,1-3H3,(H,26,30)(H2,27,28,29,31);4-13H,1-3H3,(H,25,30)(H2,26,28,29,31);4-13H,1-3H3,(H,25,30)(H2,26,27,29,31).

What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;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]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide has a molecular weight of 1719.90 g/mol, XLogP of 20.46, 16 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cinnoline-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]-1,6-naphthyridine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 157237174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).