2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole

C10H15N3O4 — CID 129411763

IUPAC2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
SMILESO=[N+]([O-])c1nccn1CCO[C@@H]1CCCCO1
InChIInChI=1S/C10H15N3O4/c14-13(15)10-11-4-5-12(10)6-8-17-9-3-1-2-7-16-9/h4-5,9H,1-3,6-8H2/t9-/m1/s1
InChIKeyMORKXJVSRUTAHQ-SECBINFHSA-N
MW241.25 g/mol
LogP1.33
Rot. Bonds5

About 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole

2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole (PubChem CID 129411763) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole.

Molecular Properties

Compound Name2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
PubChem CID129411763
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
SMILESO=[N+]([O-])c1nccn1CCO[C@@H]1CCCCO1
InChIInChI=1S/C10H15N3O4/c14-13(15)10-11-4-5-12(10)6-8-17-9-3-1-2-7-16-9/h4-5,9H,1-3,6-8H2/t9-/m1/s1
InChIKeyMORKXJVSRUTAHQ-SECBINFHSA-N
XLogP1.33
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 90063267
1-[3-methoxy-2-(oxan-2-yloxy)propyl]-2-nitroimidazole
CID 143878296
[(2S)-3-(2-nitroimidazol-1-yl)-2-[(2S)-oxan-2-yl]oxypropyl] 4-methylbenzenesulfonate
CID 93115286
2-[4-(4-nitrophenoxy)butoxy]oxane
CID 86179087
2-(2-nitroethoxy)oxane
CID 3748656
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
3,7-dimethyl-8-nitro-1-[3-(oxan-2-yloxy)propyl]purine-2,6-dione
CID 10067525
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[2-[[2-(2-nitroimidazol-1-yl)acetyl]-[3-(oxan-2-yloxy)propyl]amino]ethoxy]phenyl]propanoate
CID 162352872
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
2-(3-nitropropoxy)oxane
CID 13425358
4-(3-nitropyrazol-1-yl)-1-[3-[(2R)-oxan-2-yl]oxypropyl]piperidine
CID 100748594

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole?
The IUPAC name of 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole (CID 129411763) is 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole.
What is the SMILES notation for 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole?
The canonical SMILES for 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole is O=[N+]([O-])c1nccn1CCO[C@@H]1CCCCO1.
What is the InChIKey of 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole?
The InChIKey is MORKXJVSRUTAHQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-13(15)10-11-4-5-12(10)6-8-17-9-3-1-2-7-16-9/h4-5,9H,1-3,6-8H2/t9-/m1/s1.
What are the key properties of 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole?
2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole has a molecular weight of 241.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole is sourced from PubChem (CID 129411763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).