3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol

C10H16N4O4 — CID 103847711

IUPAC3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol
SMILESCc1nc([N+](=O)[O-])c(NCC2(O)CCOC2)n1C
InChIInChI=1S/C10H16N4O4/c1-7-12-9(14(16)17)8(13(7)2)11-5-10(15)3-4-18-6-10/h11,15H,3-6H2,1-2H3
InChIKeyOBLNPFARNBTVOG-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.20
Rot. Bonds4

About 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol

3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 103847711) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol
PubChem CID103847711
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol
SMILESCc1nc([N+](=O)[O-])c(NCC2(O)CCOC2)n1C
InChIInChI=1S/C10H16N4O4/c1-7-12-9(14(16)17)8(13(7)2)11-5-10(15)3-4-18-6-10/h11,15H,3-6H2,1-2H3
InChIKeyOBLNPFARNBTVOG-UHFFFAOYSA-N
XLogP0.20
TPSA102.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol (CID 103847711) is 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol is Cc1nc([N+](=O)[O-])c(NCC2(O)CCOC2)n1C.
What is the InChIKey of 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is OBLNPFARNBTVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7-12-9(14(16)17)8(13(7)2)11-5-10(15)3-4-18-6-10/h11,15H,3-6H2,1-2H3.
What are the key properties of 3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol?
3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 256.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 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)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 103847711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).