2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide

C10H9N5O4 — CID 82358258

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide
SMILESNc1nonc1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H9N5O4/c11-10-8(13-19-14-10)5-9(16)12-6-2-1-3-7(4-6)15(17)18/h1-4H,5H2,(H2,11,14)(H,12,16)
InChIKeyRDCZBSMACCKWCQ-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.74
Rot. Bonds4

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 82358258) has the molecular formula C10H9N5O4 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide
PubChem CID82358258
Molecular FormulaC10H9N5O4
Molecular Weight263.21 g/mol
Exact Mass263.07
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide
SMILESNc1nonc1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H9N5O4/c11-10-8(13-19-14-10)5-9(16)12-6-2-1-3-7(4-6)15(17)18/h1-4H,5H2,(H2,11,14)(H,12,16)
InChIKeyRDCZBSMACCKWCQ-UHFFFAOYSA-N
XLogP0.74
TPSA137.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.74
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-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide;hydrate
CID 139088112
[2-(3-nitroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2644053
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
3-(3-aminophenyl)-N-(3-nitrophenyl)propanamide
CID 115341147
N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
CID 10314160
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
[2-(3-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 7788413
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
propyl N-(3-nitrophenyl)carbamate
CID 522989

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide (CID 82358258) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide is Nc1nonc1CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is RDCZBSMACCKWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4/c11-10-8(13-19-14-10)5-9(16)12-6-2-1-3-7(4-6)15(17)18/h1-4H,5H2,(H2,11,14)(H,12,16).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 263.21 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 82358258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).