(13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

C22H19N5O3 — CID 53242209

IUPAC(13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESC[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21
InChIInChI=1S/C22H19N5O3/c1-13-12-23-22(29)18-10-15-7-8-17(24-20(15)27(13)18)21(28)25-19-11-16(30-26-19)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,23,29)(H,25,26,28)/t13-/m1/s1
InChIKeyZGXCDVSLCJXLMT-CYBMUJFWSA-N
MW401.43 g/mol
LogP3.17
Rot. Bonds4

About (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

(13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242209) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name(13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242209
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name(13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESC[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21
InChIInChI=1S/C22H19N5O3/c1-13-12-23-22(29)18-10-15-7-8-17(24-20(15)27(13)18)21(28)25-19-11-16(30-26-19)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,23,29)(H,25,26,28)/t13-/m1/s1
InChIKeyZGXCDVSLCJXLMT-CYBMUJFWSA-N
XLogP3.17
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242209) is (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21.
What is the InChIKey of (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is ZGXCDVSLCJXLMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13-12-23-22(29)18-10-15-7-8-17(24-20(15)27(13)18)21(28)25-19-11-16(30-26-19)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,23,29)(H,25,26,28)/t13-/m1/s1.
What are the key properties of (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
(13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).