5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole

C8H11NO — CID 89386699

IUPAC5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
SMILESC=CC1=C(/C=C\C)NCO1
InChIInChI=1S/C8H11NO/c1-3-5-7-8(4-2)10-6-9-7/h3-5,9H,2,6H2,1H3/b5-3-
InChIKeyKVQGXSZSPSHRMT-HYXAFXHYSA-N
MW137.18 g/mol
LogP1.54
Rot. Bonds2

About 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole

5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole (PubChem CID 89386699) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
PubChem CID89386699
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
SMILESC=CC1=C(/C=C\C)NCO1
InChIInChI=1S/C8H11NO/c1-3-5-7-8(4-2)10-6-9-7/h3-5,9H,2,6H2,1H3/b5-3-
InChIKeyKVQGXSZSPSHRMT-HYXAFXHYSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole?
The IUPAC name of 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole (CID 89386699) is 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole is C=CC1=C(/C=C\C)NCO1.
What is the InChIKey of 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole?
The InChIKey is KVQGXSZSPSHRMT-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-7-8(4-2)10-6-9-7/h3-5,9H,2,6H2,1H3/b5-3-.
What are the key properties of 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole?
5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 89386699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).