2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol

C6H9N3O5 — CID 83881378

IUPAC2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol
SMILESCOc1noc(C(N)CO)c1[N+](=O)[O-]
InChIInChI=1S/C6H9N3O5/c1-13-6-4(9(11)12)5(14-8-6)3(7)2-10/h3,10H,2,7H2,1H3
InChIKeyIVYXSOJILFOZFF-UHFFFAOYSA-N
MW203.15 g/mol
LogP-0.42
Rot. Bonds4

About 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol

2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol (PubChem CID 83881378) has the molecular formula C6H9N3O5 and a molecular weight of 203.15 g/mol. Its IUPAC name is 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol
PubChem CID83881378
Molecular FormulaC6H9N3O5
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol
SMILESCOc1noc(C(N)CO)c1[N+](=O)[O-]
InChIInChI=1S/C6H9N3O5/c1-13-6-4(9(11)12)5(14-8-6)3(7)2-10/h3,10H,2,7H2,1H3
InChIKeyIVYXSOJILFOZFF-UHFFFAOYSA-N
XLogP-0.42
TPSA124.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-0.42
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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Related Compounds

2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)propanoic acid
CID 83886945
2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)acetic acid
CID 83881103
5-methoxy-3-methyl-4-nitro-1,2-oxazole
CID 12794616
(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol
CID 66516371
2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633484
1-[(6-methoxy-5-nitropyrimidin-4-yl)amino]butan-2-ol
CID 113492280
[(6-methoxy-5-nitropyrimidin-4-yl)amino]urea
CID 4254994
1-[(6-methoxy-5-nitropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107153150
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
2-ethyl-2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]propane-1,3-diol
CID 107866016
1-(4,6-dimethoxy-5-nitropyrimidin-2-yl)propan-2-one
CID 1422983

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol (CID 83881378) is 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol is COc1noc(C(N)CO)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol?
The InChIKey is IVYXSOJILFOZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O5/c1-13-6-4(9(11)12)5(14-8-6)3(7)2-10/h3,10H,2,7H2,1H3.
What are the key properties of 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol?
2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol has a molecular weight of 203.15 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methoxy-4-nitro-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 83881378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).