4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

C14H19NO4 — CID 91228903

IUPAC4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1OC1CCCCO1)C1CCC2C1
InChIInChI=1S/C14H19NO4/c16-13-11-8-4-5-9(7-8)12(11)14(17)15(13)19-10-3-1-2-6-18-10/h8-10,16-17H,1-7H2
InChIKeyOMYLZYLSIIUZOE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.22
Rot. Bonds2

About 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 91228903) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID91228903
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1OC1CCCCO1)C1CCC2C1
InChIInChI=1S/C14H19NO4/c16-13-11-8-4-5-9(7-8)12(11)14(17)15(13)19-10-3-1-2-6-18-10/h8-10,16-17H,1-7H2
InChIKeyOMYLZYLSIIUZOE-UHFFFAOYSA-N
XLogP2.22
TPSA63.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-Hydroxy-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90980669
4-Hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 54184071
Tert-butyl (3,5-dihydroxy-8,10-dimethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl) carbonate
CID 91015646
(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)oxy-propoxymethanethione
CID 91035227
(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)oxy-ethoxymethanethione
CID 91180433
4-Methoxy-8-propyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91296668
8,9-Dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91350851
4-Methoxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91598187
Tert-butyl (3,5-dihydroxy-10-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl) carbonate
CID 91615123
(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl) 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123810185
(1S,7R)-4-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 123929560

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 91228903) is 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1OC1CCCCO1)C1CCC2C1.
What is the InChIKey of 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is OMYLZYLSIIUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-13-11-8-4-5-9(7-8)12(11)14(17)15(13)19-10-3-1-2-6-18-10/h8-10,16-17H,1-7H2.
What are the key properties of 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 265.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 91228903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).