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

C9H8N4O3 — CID 65461215

IUPAC5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc([N+](=O)[O-])c(-c2nnc(N)o2)c1
InChIInChI=1S/C9H8N4O3/c1-5-2-3-7(13(14)15)6(4-5)8-11-12-9(10)16-8/h2-4H,1H3,(H2,10,12)
InChIKeySOWTVBRQJMTBLW-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.54
Rot. Bonds2

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

5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 65461215) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID65461215
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc([N+](=O)[O-])c(-c2nnc(N)o2)c1
InChIInChI=1S/C9H8N4O3/c1-5-2-3-7(13(14)15)6(4-5)8-11-12-9(10)16-8/h2-4H,1H3,(H2,10,12)
InChIKeySOWTVBRQJMTBLW-UHFFFAOYSA-N
XLogP1.54
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.54
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-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 60875624
5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 43148001
[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine
CID 65461245
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
2-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65462851
5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 71563503
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 65462850
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65463046
4-(methoxymethyl)-2-(5-methyl-2-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 114373878
5-(5-methyl-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198588
[5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071105
N-[[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65453927

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine (CID 65461215) is 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine is Cc1ccc([N+](=O)[O-])c(-c2nnc(N)o2)c1.
What is the InChIKey of 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SOWTVBRQJMTBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-5-2-3-7(13(14)15)6(4-5)8-11-12-9(10)16-8/h2-4H,1H3,(H2,10,12).
What are the key properties of 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 220.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 65461215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).