tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene

C19H23FN6O5 — CID 142416592

IUPACtert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC(C)(C)OC(=O)NCCNc1nonc1-c1noc(=O)[nH]1.Fc1ccc2c(c1)CC2
InChIInChI=1S/C11H16N6O5.C8H7F/c1-11(2,3)20-9(18)13-5-4-12-7-6(15-22-17-7)8-14-10(19)21-16-8;9-8-4-3-6-1-2-7(6)5-8/h4-5H2,1-3H3,(H,12,17)(H,13,18)(H,14,16,19);3-5H,1-2H2
InChIKeyDBYUXNMAEGFKPP-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene

tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 142416592) has the molecular formula C19H23FN6O5 and a molecular weight of 434.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID142416592
Molecular FormulaC19H23FN6O5
Molecular Weight434.43 g/mol
Exact Mass434.17
IUPAC Nametert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC(C)(C)OC(=O)NCCNc1nonc1-c1noc(=O)[nH]1.Fc1ccc2c(c1)CC2
InChIInChI=1S/C11H16N6O5.C8H7F/c1-11(2,3)20-9(18)13-5-4-12-7-6(15-22-17-7)8-14-10(19)21-16-8;9-8-4-3-6-1-2-7(6)5-8/h4-5H2,1-3H3,(H,12,17)(H,13,18)(H,14,16,19);3-5H,1-2H2
InChIKeyDBYUXNMAEGFKPP-UHFFFAOYSA-N
XLogP2.27
TPSA148.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

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CID 71089085
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tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene (CID 142416592) is tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene is CC(C)(C)OC(=O)NCCNc1nonc1-c1noc(=O)[nH]1.Fc1ccc2c(c1)CC2.
What is the InChIKey of tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is DBYUXNMAEGFKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O5.C8H7F/c1-11(2,3)20-9(18)13-5-4-12-7-6(15-22-17-7)8-14-10(19)21-16-8;9-8-4-3-6-1-2-7(6)5-8/h4-5H2,1-3H3,(H,12,17)(H,13,18)(H,14,16,19);3-5H,1-2H2.
What are the key properties of tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene?
tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 434.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]amino]ethyl]carbamate;3-fluorobicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 142416592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).