bis(4,5-dihydro-1,3-oxazol-2-yl)diazene

C6H8N4O2 — CID 70272991

IUPACbis(4,5-dihydro-1,3-oxazol-2-yl)diazene
SMILESC1COC(N=NC2=NCCO2)=N1
InChIInChI=1S/C6H8N4O2/c1-3-11-5(7-1)9-10-6-8-2-4-12-6/h1-4H2
InChIKeyMKQPOLKAKONNRC-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.21
Rot. Bonds

About bis(4,5-dihydro-1,3-oxazol-2-yl)diazene

bis(4,5-dihydro-1,3-oxazol-2-yl)diazene (PubChem CID 70272991) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazol-2-yl)diazene.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazol-2-yl)diazene
PubChem CID70272991
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Namebis(4,5-dihydro-1,3-oxazol-2-yl)diazene
SMILESC1COC(N=NC2=NCCO2)=N1
InChIInChI=1S/C6H8N4O2/c1-3-11-5(7-1)9-10-6-8-2-4-12-6/h1-4H2
InChIKeyMKQPOLKAKONNRC-UHFFFAOYSA-N
XLogP0.21
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazol-2-yl)diazene?
The IUPAC name of bis(4,5-dihydro-1,3-oxazol-2-yl)diazene (CID 70272991) is bis(4,5-dihydro-1,3-oxazol-2-yl)diazene.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazol-2-yl)diazene?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazol-2-yl)diazene is C1COC(N=NC2=NCCO2)=N1.
What is the InChIKey of bis(4,5-dihydro-1,3-oxazol-2-yl)diazene?
The InChIKey is MKQPOLKAKONNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-3-11-5(7-1)9-10-6-8-2-4-12-6/h1-4H2.
What are the key properties of bis(4,5-dihydro-1,3-oxazol-2-yl)diazene?
bis(4,5-dihydro-1,3-oxazol-2-yl)diazene has a molecular weight of 168.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazol-2-yl)diazene is sourced from PubChem (CID 70272991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).