3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

C15H19N3O — CID 15407019

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESc1cc2c3c(c1)OC(C1=NCCN1)CN3CCCC2
InChIInChI=1S/C15H19N3O/c1-2-9-18-10-13(15-16-7-8-17-15)19-12-6-3-5-11(4-1)14(12)18/h3,5-6,13H,1-2,4,7-10H2,(H,16,17)
InChIKeyCEAKDQVDDQMVIY-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.59
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (PubChem CID 15407019) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
PubChem CID15407019
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESc1cc2c3c(c1)OC(C1=NCCN1)CN3CCCC2
InChIInChI=1S/C15H19N3O/c1-2-9-18-10-13(15-16-7-8-17-15)19-12-6-3-5-11(4-1)14(12)18/h3,5-6,13H,1-2,4,7-10H2,(H,16,17)
InChIKeyCEAKDQVDDQMVIY-UHFFFAOYSA-N
XLogP1.59
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (CID 15407019) is 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is c1cc2c3c(c1)OC(C1=NCCN1)CN3CCCC2.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The InChIKey is CEAKDQVDDQMVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-9-18-10-13(15-16-7-8-17-15)19-12-6-3-5-11(4-1)14(12)18/h3,5-6,13H,1-2,4,7-10H2,(H,16,17).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene has a molecular weight of 257.34 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is sourced from PubChem (CID 15407019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).