5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

C19H16N6O2S — CID 18361888

IUPAC5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(OCCc4scnc4C)nn23)no1
InChIInChI=1S/C19H16N6O2S/c1-11-9-15(24-27-11)18-22-21-17-13-5-3-4-6-14(13)19(23-25(17)18)26-8-7-16-12(2)20-10-28-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNHVITKOBOSDOFE-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.63
Rot. Bonds5

About 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 18361888) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID18361888
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(OCCc4scnc4C)nn23)no1
InChIInChI=1S/C19H16N6O2S/c1-11-9-15(24-27-11)18-22-21-17-13-5-3-4-6-14(13)19(23-25(17)18)26-8-7-16-12(2)20-10-28-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNHVITKOBOSDOFE-UHFFFAOYSA-N
XLogP3.63
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 18361888) is 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is Cc1cc(-c2nnc3c4ccccc4c(OCCc4scnc4C)nn23)no1.
What is the InChIKey of 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is NHVITKOBOSDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-11-9-15(24-27-11)18-22-21-17-13-5-3-4-6-14(13)19(23-25(17)18)26-8-7-16-12(2)20-10-28-16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 392.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 18361888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).