3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane

C13H20N4O4 — CID 103555231

IUPAC3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nc([N+](=O)[O-])c(OC2COC3(CCNCC3)C2)n1C
InChIInChI=1S/C13H20N4O4/c1-9-15-11(17(18)19)12(16(9)2)21-10-7-13(20-8-10)3-5-14-6-4-13/h10,14H,3-8H2,1-2H3
InChIKeyUGHPMCHUDGXXHZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.93
Rot. Bonds3

About 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane

3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 103555231) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID103555231
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nc([N+](=O)[O-])c(OC2COC3(CCNCC3)C2)n1C
InChIInChI=1S/C13H20N4O4/c1-9-15-11(17(18)19)12(16(9)2)21-10-7-13(20-8-10)3-5-14-6-4-13/h10,14H,3-8H2,1-2H3
InChIKeyUGHPMCHUDGXXHZ-UHFFFAOYSA-N
XLogP0.93
TPSA91.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane 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-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine
CID 103555198
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
3-(1-methyltetrazol-5-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930419
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
3-(4-bromo-2-nitrophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930414
5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile
CID 102930669
1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)azetidin-3-yl]piperazine
CID 103555034
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930090
N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
CID 103555031
3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930455
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930435
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane (CID 103555231) is 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane is Cc1nc([N+](=O)[O-])c(OC2COC3(CCNCC3)C2)n1C.
What is the InChIKey of 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is UGHPMCHUDGXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9-15-11(17(18)19)12(16(9)2)21-10-7-13(20-8-10)3-5-14-6-4-13/h10,14H,3-8H2,1-2H3.
What are the key properties of 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 296.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 103555231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).