13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

C18H19N5O3 — CID 123793496

IUPAC13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCCC1C(C)NC(=O)c2cc3ccc(C(=O)Nc4cc(C)on4)nc3n21
InChIInChI=1S/C18H19N5O3/c1-4-13-10(3)19-18(25)14-8-11-5-6-12(20-16(11)23(13)14)17(24)21-15-7-9(2)26-22-15/h5-8,10,13H,4H2,1-3H3,(H,19,25)(H,21,22,24)
InChIKeyIZEAGWCVDWMBLB-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.67
Rot. Bonds3

About 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 123793496) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID123793496
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCCC1C(C)NC(=O)c2cc3ccc(C(=O)Nc4cc(C)on4)nc3n21
InChIInChI=1S/C18H19N5O3/c1-4-13-10(3)19-18(25)14-8-11-5-6-12(20-16(11)23(13)14)17(24)21-15-7-9(2)26-22-15/h5-8,10,13H,4H2,1-3H3,(H,19,25)(H,21,22,24)
InChIKeyIZEAGWCVDWMBLB-UHFFFAOYSA-N
XLogP2.67
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide with MolForge

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Related Compounds

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
6-(2-ethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109125855
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31979037
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
CID 110865548
(13R)-N-(4-cyclopropyl-2-sulfamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 167432876
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312759
3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180619
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-2-carboxamide
CID 47155094
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62958428
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (CID 123793496) is 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-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 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is CCC1C(C)NC(=O)c2cc3ccc(C(=O)Nc4cc(C)on4)nc3n21.
What is the InChIKey of 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is IZEAGWCVDWMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-13-10(3)19-18(25)14-8-11-5-6-12(20-16(11)23(13)14)17(24)21-15-7-9(2)26-22-15/h5-8,10,13H,4H2,1-3H3,(H,19,25)(H,21,22,24).
What are the key properties of 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-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 353.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-12-methyl-N-(5-methyl-1,2-oxazol-3-yl)-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 123793496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).