[(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate

C13H11FN4O3 — CID 134313719

IUPAC[(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate
SMILESCN(/C(=N\OC=O)c1cnon1)C1Cc2ccc(F)cc21
InChIInChI=1S/C13H11FN4O3/c1-18(12-4-8-2-3-9(14)5-10(8)12)13(17-20-7-19)11-6-15-21-16-11/h2-3,5-7,12H,4H2,1H3/b17-13-
InChIKeyMXUQYWAFTAYZBQ-LGMDPLHJSA-N
MW290.25 g/mol
LogP1.27
Rot. Bonds4

About [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate

[(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate (PubChem CID 134313719) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate.

Molecular Properties

Compound Name[(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate
PubChem CID134313719
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name[(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate
SMILESCN(/C(=N\OC=O)c1cnon1)C1Cc2ccc(F)cc21
InChIInChI=1S/C13H11FN4O3/c1-18(12-4-8-2-3-9(14)5-10(8)12)13(17-20-7-19)11-6-15-21-16-11/h2-3,5-7,12H,4H2,1H3/b17-13-
InChIKeyMXUQYWAFTAYZBQ-LGMDPLHJSA-N
XLogP1.27
TPSA80.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate?
The IUPAC name of [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate (CID 134313719) is [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate.
What is the SMILES notation for [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate?
The canonical SMILES for [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate is CN(/C(=N\OC=O)c1cnon1)C1Cc2ccc(F)cc21.
What is the InChIKey of [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate?
The InChIKey is MXUQYWAFTAYZBQ-LGMDPLHJSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-18(12-4-8-2-3-9(14)5-10(8)12)13(17-20-7-19)11-6-15-21-16-11/h2-3,5-7,12H,4H2,1H3/b17-13-.
What are the key properties of [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate?
[(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate has a molecular weight of 290.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[[(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-methylamino]-(1,2,5-oxadiazol-3-yl)methylidene]amino] formate is sourced from PubChem (CID 134313719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).