bis(4,5-dihydro-1,3-oxazole);ethene

C8H14N2O2 — CID 67698921

IUPACbis(4,5-dihydro-1,3-oxazole);ethene
SMILESC1=NCCO1.C1=NCCO1.C=C
InChIInChI=1S/2C3H5NO.C2H4/c2*1-2-5-3-4-1;1-2/h2*3H,1-2H2;1-2H2
InChIKeyNTWSALKLXSAQNS-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.89
Rot. Bonds

About bis(4,5-dihydro-1,3-oxazole);ethene

bis(4,5-dihydro-1,3-oxazole);ethene (PubChem CID 67698921) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazole);ethene.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazole);ethene
PubChem CID67698921
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Namebis(4,5-dihydro-1,3-oxazole);ethene
SMILESC1=NCCO1.C1=NCCO1.C=C
InChIInChI=1S/2C3H5NO.C2H4/c2*1-2-5-3-4-1;1-2/h2*3H,1-2H2;1-2H2
InChIKeyNTWSALKLXSAQNS-UHFFFAOYSA-N
XLogP0.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazole);ethene?
The IUPAC name of bis(4,5-dihydro-1,3-oxazole);ethene (CID 67698921) is bis(4,5-dihydro-1,3-oxazole);ethene.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazole);ethene?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazole);ethene is C1=NCCO1.C1=NCCO1.C=C.
What is the InChIKey of bis(4,5-dihydro-1,3-oxazole);ethene?
The InChIKey is NTWSALKLXSAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5NO.C2H4/c2*1-2-5-3-4-1;1-2/h2*3H,1-2H2;1-2H2.
What are the key properties of bis(4,5-dihydro-1,3-oxazole);ethene?
bis(4,5-dihydro-1,3-oxazole);ethene has a molecular weight of 170.21 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazole);ethene is sourced from PubChem (CID 67698921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).