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

C14H14N4O — CID 135439444

IUPAC3-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole
SMILESc1cc(-c2nc3c4c(ncc3[nH]2)CCCCC4)no1
InChIInChI=1S/C14H14N4O/c1-2-4-9-10(5-3-1)15-8-12-13(9)17-14(16-12)11-6-7-19-18-11/h6-8H,1-5H2,(H,16,17)
InChIKeyOYIMQBDMTOYKTM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds1

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

3-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole (PubChem CID 135439444) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole
PubChem CID135439444
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole
SMILESc1cc(-c2nc3c4c(ncc3[nH]2)CCCCC4)no1
InChIInChI=1S/C14H14N4O/c1-2-4-9-10(5-3-1)15-8-12-13(9)17-14(16-12)11-6-7-19-18-11/h6-8H,1-5H2,(H,16,17)
InChIKeyOYIMQBDMTOYKTM-UHFFFAOYSA-N
XLogP2.88
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(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-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole (CID 135439444) is 3-(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-(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-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole is c1cc(-c2nc3c4c(ncc3[nH]2)CCCCC4)no1.
What is the InChIKey of 3-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole?
The InChIKey is OYIMQBDMTOYKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-4-9-10(5-3-1)15-8-12-13(9)17-14(16-12)11-6-7-19-18-11/h6-8H,1-5H2,(H,16,17).
What are the key properties of 3-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole?
3-(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 254.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(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 135439444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).