N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C10H12N6O5 — CID 5299777

IUPACN-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1
InChIInChI=1S/C10H12N6O5/c1-20-5-3-11-9(17)10-12-7(14-21-10)6-15-4-2-8(13-15)16(18)19/h2,4H,3,5-6H2,1H3,(H,11,17)
InChIKeyLFBMLJUPXRTMLI-UHFFFAOYSA-N
MW296.24 g/mol
LogP-0.40
Rot. Bonds7

About N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5299777) has the molecular formula C10H12N6O5 and a molecular weight of 296.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5299777
Molecular FormulaC10H12N6O5
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC NameN-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1
InChIInChI=1S/C10H12N6O5/c1-20-5-3-11-9(17)10-12-7(14-21-10)6-15-4-2-8(13-15)16(18)19/h2,4H,3,5-6H2,1H3,(H,11,17)
InChIKeyLFBMLJUPXRTMLI-UHFFFAOYSA-N
XLogP-0.40
TPSA138.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5299777) is N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is COCCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LFBMLJUPXRTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O5/c1-20-5-3-11-9(17)10-12-7(14-21-10)6-15-4-2-8(13-15)16(18)19/h2,4H,3,5-6H2,1H3,(H,11,17).
What are the key properties of N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 296.24 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5299777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).