5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole

C17H20N6O — CID 67458765

IUPAC5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole
SMILESCc1cnc(C2CN(c3c4c(nc5ccnn35)CCNCC4)C2)o1
InChIInChI=1S/C17H20N6O/c1-11-8-19-16(24-11)12-9-22(10-12)17-13-2-5-18-6-3-14(13)21-15-4-7-20-23(15)17/h4,7-8,12,18H,2-3,5-6,9-10H2,1H3
InChIKeyUCZOFOGTEILDDJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.32
Rot. Bonds2

About 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole

5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole (PubChem CID 67458765) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole
PubChem CID67458765
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole
SMILESCc1cnc(C2CN(c3c4c(nc5ccnn35)CCNCC4)C2)o1
InChIInChI=1S/C17H20N6O/c1-11-8-19-16(24-11)12-9-22(10-12)17-13-2-5-18-6-3-14(13)21-15-4-7-20-23(15)17/h4,7-8,12,18H,2-3,5-6,9-10H2,1H3
InChIKeyUCZOFOGTEILDDJ-UHFFFAOYSA-N
XLogP1.32
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole (CID 67458765) is 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole is Cc1cnc(C2CN(c3c4c(nc5ccnn35)CCNCC4)C2)o1.
What is the InChIKey of 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole?
The InChIKey is UCZOFOGTEILDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-8-19-16(24-11)12-9-22(10-12)17-13-2-5-18-6-3-14(13)21-15-4-7-20-23(15)17/h4,7-8,12,18H,2-3,5-6,9-10H2,1H3.
What are the key properties of 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole?
5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole has a molecular weight of 324.39 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 67458765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).