3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole

C10H9N3O4 — CID 616601

IUPAC3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O4/c1-6-11-10(12-17-6)7-3-4-9(16-2)8(5-7)13(14)15/h3-5H,1-2H3
InChIKeyFEEHDLGDXXYORB-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.96
Rot. Bonds3

About 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole

3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 616601) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID616601
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O4/c1-6-11-10(12-17-6)7-3-4-9(16-2)8(5-7)13(14)15/h3-5H,1-2H3
InChIKeyFEEHDLGDXXYORB-UHFFFAOYSA-N
XLogP1.96
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
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

[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82358630
5-(4-chloro-3-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 8895254
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
5-(4-methoxy-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2183720
4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine
CID 79555784
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-nitrobenzonitrile
CID 60503392
3-(4-methoxy-3-nitrophenyl)-5-methyl-1H-pyrazole
CID 13170686
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-nitrophenyl]-phenylmethanone
CID 18197474
5-(3,4-dimethoxy-5-nitrophenyl)-3-(4-iodo-3-methoxyphenyl)-1,2,4-oxadiazole
CID 142497006
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975
[3-(4-ethoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82358631
5-methyl-3-[3-(4-methyl-3-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 70086748

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole (CID 616601) is 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole is COc1ccc(-c2noc(C)n2)cc1[N+](=O)[O-].
What is the InChIKey of 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is FEEHDLGDXXYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-6-11-10(12-17-6)7-3-4-9(16-2)8(5-7)13(14)15/h3-5H,1-2H3.
What are the key properties of 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole?
3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 235.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 616601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).