3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole

C5H3N5O5 — CID 15544980

IUPAC3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole
SMILESCc1nonc1Oc1nonc1[N+](=O)[O-]
InChIInChI=1S/C5H3N5O5/c1-2-4(8-14-6-2)13-5-3(10(11)12)7-15-9-5/h1H3
InChIKeySFMHFESZPGUPAK-UHFFFAOYSA-N
MW213.11 g/mol
LogP0.46
Rot. Bonds3

About 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole

3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole (PubChem CID 15544980) has the molecular formula C5H3N5O5 and a molecular weight of 213.11 g/mol. Its IUPAC name is 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole
PubChem CID15544980
Molecular FormulaC5H3N5O5
Molecular Weight213.11 g/mol
Exact Mass213.01
IUPAC Name3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole
SMILESCc1nonc1Oc1nonc1[N+](=O)[O-]
InChIInChI=1S/C5H3N5O5/c1-2-4(8-14-6-2)13-5-3(10(11)12)7-15-9-5/h1H3
InChIKeySFMHFESZPGUPAK-UHFFFAOYSA-N
XLogP0.46
TPSA130.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole (CID 15544980) is 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole is Cc1nonc1Oc1nonc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole?
The InChIKey is SFMHFESZPGUPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5O5/c1-2-4(8-14-6-2)13-5-3(10(11)12)7-15-9-5/h1H3.
What are the key properties of 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole?
3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole has a molecular weight of 213.11 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-nitro-1,2,5-oxadiazol-3-yl)oxy]-1,2,5-oxadiazole is sourced from PubChem (CID 15544980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).