5-ethyl-4,5-dihydro-1,3-oxazole

C5H9NO — CID 54353965

IUPAC5-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1CN=CO1
InChIInChI=1S/C5H9NO/c1-2-5-3-6-4-7-5/h4-5H,2-3H2,1H3
InChIKeyIXEGQWXIRSYFQW-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.82
Rot. Bonds1

About 5-ethyl-4,5-dihydro-1,3-oxazole

5-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 54353965) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 5-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID54353965
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name5-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1CN=CO1
InChIInChI=1S/C5H9NO/c1-2-5-3-6-4-7-5/h4-5H,2-3H2,1H3
InChIKeyIXEGQWXIRSYFQW-UHFFFAOYSA-N
XLogP0.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-ethyl-4,5-dihydro-1,3-oxazole (CID 54353965) is 5-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-ethyl-4,5-dihydro-1,3-oxazole is CCC1CN=CO1.
What is the InChIKey of 5-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IXEGQWXIRSYFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-5-3-6-4-7-5/h4-5H,2-3H2,1H3.
What are the key properties of 5-ethyl-4,5-dihydro-1,3-oxazole?
5-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 54353965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).