2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol

C11H12N4O5 — CID 104633484

IUPAC2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCOc1c(-c2nc(C(N)CO)no2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O5/c1-19-9-6(3-2-4-8(9)15(17)18)11-13-10(14-20-11)7(12)5-16/h2-4,7,16H,5,12H2,1H3
InChIKeyAORYATUCBXMUDH-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.65
Rot. Bonds5

About 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol

2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633484) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633484
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCOc1c(-c2nc(C(N)CO)no2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O5/c1-19-9-6(3-2-4-8(9)15(17)18)11-13-10(14-20-11)7(12)5-16/h2-4,7,16H,5,12H2,1H3
InChIKeyAORYATUCBXMUDH-UHFFFAOYSA-N
XLogP0.65
TPSA137.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol 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

2-amino-2-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633363
2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 114024025
1-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633816
1-[5-(2-chloro-6-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63659524
2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633198
1-[5-(4,5-difluoro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633586
2-amino-2-[5-(3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633369
3-(chloromethyl)-5-(2-ethoxy-3-nitrophenyl)-1,2,4-oxadiazole
CID 113386599
5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63690310
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
methyl 2-(1-amino-2-hydroxyethyl)-3-nitrobenzoate
CID 117352620
4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole
CID 166130645

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633484) is 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol is COc1c(-c2nc(C(N)CO)no2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is AORYATUCBXMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-19-9-6(3-2-4-8(9)15(17)18)11-13-10(14-20-11)7(12)5-16/h2-4,7,16H,5,12H2,1H3.
What are the key properties of 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 280.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).