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

C8H6N4O3 — CID 676499

IUPAC5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C8H6N4O3/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11)
InChIKeyZCDYCESVPSXZFM-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.23
Rot. Bonds2

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

5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 676499) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID676499
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C8H6N4O3/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11)
InChIKeyZCDYCESVPSXZFM-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

2-(3-Nitro-phenyl)-5-phenyl-(1,3,4)oxadiazole
CID 577329
5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 712042
2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole
CID 540416
5-tert-Butyl-2-(3-(nitrophenyl)-1,3,4-oxadiazole
CID 730641
2,5-Bis(3-nitrophenyl)-1,3,4-oxadiazole
CID 1715369
2-(2-Fluorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781492
2-Cyclopropyl-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806329
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 5187457
(E)-1-(4-nitrophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine
CID 12333000
2-(3,5-Dinitrophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 137632492
5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 3738156
Stk520518
CID 745991

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine (CID 676499) is 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZCDYCESVPSXZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11).
What are the key properties of 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine?
5-(3-nitrophenyl)-1,3,4-oxadiazol-2-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)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 676499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).