3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one

C15H15N3O3 — CID 11055234

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one
SMILESCOc1cc(=O)n2c3c(cccc13)OC(C1=NCCN1)C2
InChIInChI=1S/C15H15N3O3/c1-20-11-7-13(19)18-8-12(15-16-5-6-17-15)21-10-4-2-3-9(11)14(10)18/h2-4,7,12H,5-6,8H2,1H3,(H,16,17)
InChIKeyIXCCOVHGLIXZOA-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.77
Rot. Bonds2

About 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one

3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one (PubChem CID 11055234) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one
PubChem CID11055234
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one
SMILESCOc1cc(=O)n2c3c(cccc13)OC(C1=NCCN1)C2
InChIInChI=1S/C15H15N3O3/c1-20-11-7-13(19)18-8-12(15-16-5-6-17-15)21-10-4-2-3-9(11)14(10)18/h2-4,7,12H,5-6,8H2,1H3,(H,16,17)
InChIKeyIXCCOVHGLIXZOA-UHFFFAOYSA-N
XLogP0.77
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one 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 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one (CID 11055234) is 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one is COc1cc(=O)n2c3c(cccc13)OC(C1=NCCN1)C2.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one?
The InChIKey is IXCCOVHGLIXZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-11-7-13(19)18-8-12(15-16-5-6-17-15)21-10-4-2-3-9(11)14(10)18/h2-4,7,12H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one?
3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one has a molecular weight of 285.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one is sourced from PubChem (CID 11055234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).