10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid

C15H15N3O5 — CID 70295376

IUPAC10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid
SMILESO=C(O)C(=O)O.c1cc2c3c(c1)ccn3CC(C1=NCCN1)O2
InChIInChI=1S/C13H13N3O.C2H2O4/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16;3-1(4)2(5)6/h1-4,7,11H,5-6,8H2,(H,14,15);(H,3,4)(H,5,6)
InChIKeyHDBKDYOVKUWXSQ-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.56
Rot. Bonds1

About 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid

10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid (PubChem CID 70295376) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid.

Molecular Properties

Compound Name10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid
PubChem CID70295376
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid
SMILESO=C(O)C(=O)O.c1cc2c3c(c1)ccn3CC(C1=NCCN1)O2
InChIInChI=1S/C13H13N3O.C2H2O4/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16;3-1(4)2(5)6/h1-4,7,11H,5-6,8H2,(H,14,15);(H,3,4)(H,5,6)
InChIKeyHDBKDYOVKUWXSQ-UHFFFAOYSA-N
XLogP0.56
TPSA113.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid 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 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid?
The IUPAC name of 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid (CID 70295376) is 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid.
What is the SMILES notation for 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid?
The canonical SMILES for 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid is O=C(O)C(=O)O.c1cc2c3c(c1)ccn3CC(C1=NCCN1)O2.
What is the InChIKey of 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid?
The InChIKey is HDBKDYOVKUWXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.C2H2O4/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16;3-1(4)2(5)6/h1-4,7,11H,5-6,8H2,(H,14,15);(H,3,4)(H,5,6).
What are the key properties of 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid?
10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid has a molecular weight of 317.30 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid is sourced from PubChem (CID 70295376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).