tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate

C11H15N5O5S — CID 137296288

IUPACtert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCSc1nonc1-c1noc(=O)[nH]1
InChIInChI=1S/C11H15N5O5S/c1-11(2,3)19-9(17)12-4-5-22-8-6(14-21-16-8)7-13-10(18)20-15-7/h4-5H2,1-3H3,(H,12,17)(H,13,15,18)
InChIKeyVIAZFKAOBJWDEE-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.03
Rot. Bonds5

About tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate

tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate (PubChem CID 137296288) has the molecular formula C11H15N5O5S and a molecular weight of 329.34 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]sulfanyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate
PubChem CID137296288
Molecular FormulaC11H15N5O5S
Molecular Weight329.34 g/mol
Exact Mass329.08
IUPAC Nametert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCSc1nonc1-c1noc(=O)[nH]1
InChIInChI=1S/C11H15N5O5S/c1-11(2,3)19-9(17)12-4-5-22-8-6(14-21-16-8)7-13-10(18)20-15-7/h4-5H2,1-3H3,(H,12,17)(H,13,15,18)
InChIKeyVIAZFKAOBJWDEE-UHFFFAOYSA-N
XLogP1.03
TPSA136.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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
tert-butyl N-[2-[[4-[4-(1-fluorobutyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate
CID 129260702
tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 139026733
tert-butyl N-[2-[[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate
CID 129260813
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CID 158106786
tert-butyl N-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]carbamate
CID 146021302
tert-butyl N-[1-[2-amino-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]carbamate
CID 164529916
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
tert-butyl N-[2-(2-aminooxyethyldisulfanyl)ethyl]carbamate
CID 59824687
tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 70853467
tert-butyl N-[2-[2-amino-4-bromo-6-(methylamino)phenyl]sulfanylethyl]carbamate
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tert-butyl N-[2-(trioxidanylsulfanyl)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]sulfanyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate (CID 137296288) is tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate.
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]sulfanyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCSc1nonc1-c1noc(=O)[nH]1.
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]sulfanyl]ethyl]carbamate?
The InChIKey is VIAZFKAOBJWDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O5S/c1-11(2,3)19-9(17)12-4-5-22-8-6(14-21-16-8)7-13-10(18)20-15-7/h4-5H2,1-3H3,(H,12,17)(H,13,15,18).
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]sulfanyl]ethyl]carbamate?
tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate has a molecular weight of 329.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 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]sulfanyl]ethyl]carbamate is sourced from PubChem (CID 137296288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).