N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid

C31H32N8O6 — CID 160513280

About N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid

N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid (PubChem CID 160513280) has the molecular formula C31H32N8O6 and a molecular weight of 612.65 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
• PubChem CID: 160513280
• Molecular Formula: C31H32N8O6
• Molecular Weight: 612.65 g/mol
• Exact Mass: 612.24
• IUPAC Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
• SMILES: CC(C)(C)c1cc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)no1.O=C(O)c1ccc2cc3n(c2n1)CCCNC3=O
• InChI: InChI=1S/C19H21N5O3.C12H11N3O3/c1-19(2,3)14-10-15(23-27-14)22-17(25)12-6-5-11-9-13-18(26)20-7-4-8-24(13)16(11)21-12;16-11-9-6-7-2-3-8(12(17)18)14-10(7)15(9)5-1-4-13-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,26)(H,22,23,25);2-3,6H,1,4-5H2,(H,13,16)(H,17,18)
• InChIKey: QTHYXFSPAILNDW-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 186.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.65
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?

The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid (CID 160513280) is N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid.

What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?

The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid is CC(C)(C)c1cc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)no1.O=C(O)c1ccc2cc3n(c2n1)CCCNC3=O.

What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?

The InChIKey is QTHYXFSPAILNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.C12H11N3O3/c1-19(2,3)14-10-15(23-27-14)22-17(25)12-6-5-11-9-13-18(26)20-7-4-8-24(13)16(11)21-12;16-11-9-6-7-2-3-8(12(17)18)14-10(7)15(9)5-1-4-13-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,26)(H,22,23,25);2-3,6H,1,4-5H2,(H,13,16)(H,17,18).

What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?

N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid has a molecular weight of 612.65 g/mol, XLogP of 3.58, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid is sourced from PubChem (CID 160513280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).