N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid

C36H34N8O6 — CID 162153009

IUPACN-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
SMILESCC1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21.CC1CCNC(=O)c2cc3ccc(C(=O)O)nc3n21
InChIInChI=1S/C23H21N5O3.C13H13N3O3/c1-14-9-10-24-23(30)19-12-16-7-8-18(25-21(16)28(14)19)22(29)26-20-13-17(31-27-20)11-15-5-3-2-4-6-15;1-7-4-5-14-12(17)10-6-8-2-3-9(13(18)19)15-11(8)16(7)10/h2-8,12-14H,9-11H2,1H3,(H,24,30)(H,26,27,29);2-3,6-7H,4-5H2,1H3,(H,14,17)(H,18,19)
InChIKeyZLLOBTSWCBGQBW-UHFFFAOYSA-N
MW674.72 g/mol
LogP4.99
Rot. Bonds5

About N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid

N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid (PubChem CID 162153009) has the molecular formula C36H34N8O6 and a molecular weight of 674.72 g/mol. Its IUPAC name is N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid.

Molecular Properties

Compound NameN-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
PubChem CID162153009
Molecular FormulaC36H34N8O6
Molecular Weight674.72 g/mol
Exact Mass674.26
IUPAC NameN-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
SMILESCC1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21.CC1CCNC(=O)c2cc3ccc(C(=O)O)nc3n21
InChIInChI=1S/C23H21N5O3.C13H13N3O3/c1-14-9-10-24-23(30)19-12-16-7-8-18(25-21(16)28(14)19)22(29)26-20-13-17(31-27-20)11-15-5-3-2-4-6-15;1-7-4-5-14-12(17)10-6-8-2-3-9(13(18)19)15-11(8)16(7)10/h2-8,12-14H,9-11H2,1H3,(H,24,30)(H,26,27,29);2-3,6-7H,4-5H2,1H3,(H,14,17)(H,18,19)
InChIKeyZLLOBTSWCBGQBW-UHFFFAOYSA-N
XLogP4.99
TPSA186.27 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.72
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-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-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid (CID 162153009) is N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-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-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-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-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid is CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21.CC1CCNC(=O)c2cc3ccc(C(=O)O)nc3n21.
What is the InChIKey of N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?
The InChIKey is ZLLOBTSWCBGQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.C13H13N3O3/c1-14-9-10-24-23(30)19-12-16-7-8-18(25-21(16)28(14)19)22(29)26-20-13-17(31-27-20)11-15-5-3-2-4-6-15;1-7-4-5-14-12(17)10-6-8-2-3-9(13(18)19)15-11(8)16(7)10/h2-8,12-14H,9-11H2,1H3,(H,24,30)(H,26,27,29);2-3,6-7H,4-5H2,1H3,(H,14,17)(H,18,19).
What are the key properties of N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?
N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-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 674.72 g/mol, XLogP of 4.99, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-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 162153009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).