3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole

C15H16N4O — CID 135513812

IUPAC3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole
SMILESCc1cc(-c2nc3c4c(ncc3[nH]2)CCCCC4)on1
InChIInChI=1S/C15H16N4O/c1-9-7-13(20-19-9)15-17-12-8-16-11-6-4-2-3-5-10(11)14(12)18-15/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyWTVJHTJEWKBFLQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.19
Rot. Bonds1

About 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole

3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole (PubChem CID 135513812) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole
PubChem CID135513812
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole
SMILESCc1cc(-c2nc3c4c(ncc3[nH]2)CCCCC4)on1
InChIInChI=1S/C15H16N4O/c1-9-7-13(20-19-9)15-17-12-8-16-11-6-4-2-3-5-10(11)14(12)18-15/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyWTVJHTJEWKBFLQ-UHFFFAOYSA-N
XLogP3.19
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole (CID 135513812) is 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole is Cc1cc(-c2nc3c4c(ncc3[nH]2)CCCCC4)on1.
What is the InChIKey of 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole?
The InChIKey is WTVJHTJEWKBFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-7-13(20-19-9)15-17-12-8-16-11-6-4-2-3-5-10(11)14(12)18-15/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole?
3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole has a molecular weight of 268.32 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole is sourced from PubChem (CID 135513812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).