5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine

C8H6N4O3 — CID 63692611

IUPAC5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C8H6N4O3/c9-8-10-7(15-11-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11)
InChIKeyCQDUFRLOXZDXNR-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.23
Rot. Bonds2

About 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine

5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 63692611) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
PubChem CID63692611
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C8H6N4O3/c9-8-10-7(15-11-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11)
InChIKeyCQDUFRLOXZDXNR-UHFFFAOYSA-N
XLogP1.23
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324976
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859522
3-(3-nitrophenyl)-1,2-oxazol-5-amine
CID 20983345
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352509
5-(4-methylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 877489
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
N-[[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065625
3-(4-ethoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46052852
5-(furan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 699740
2-[2,6-diamino-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-yl]oxyethanol
CID 10642187

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine (CID 63692611) is 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine is Nc1noc(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is CQDUFRLOXZDXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-8-10-7(15-11-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11).
What are the key properties of 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine?
5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 206.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63692611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).