3-ethyl-4,5-dihydro-1,2-oxazole

C5H9NO — CID 14907580

IUPAC3-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOCC1
InChIInChI=1S/C5H9NO/c1-2-5-3-4-7-6-5/h2-4H2,1H3
InChIKeyPQTVBURBBPZPEY-UHFFFAOYSA-N
MW99.13 g/mol
LogP1.17
Rot. Bonds1

About 3-ethyl-4,5-dihydro-1,2-oxazole

3-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 14907580) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID14907580
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOCC1
InChIInChI=1S/C5H9NO/c1-2-5-3-4-7-6-5/h2-4H2,1H3
InChIKeyPQTVBURBBPZPEY-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
4H-1,2-Oxazine, 5,6-dihydro-3-methyl-
CID 12307804
Methylisoxazoline
CID 12959090
2-Propanone, O-butyloxime
CID 22964096
3-Ethyl-5-fluoro-4,5-dihydro-1,2-oxazole
CID 67989550
pentan-3-one O-ethyloxime
CID 20642399
butan-2-one O-ethyloxime
CID 22087388
3-Propyl-4,5-dihydro-1,2-oxazole
CID 11708053
3-Butyl-4,5-dihydro-1,2-oxazole
CID 12415358
3-ethyl-5,6-dihydro-4H-1,2-oxazine
CID 12719500
3-Methyl-4,5,6,7-tetrahydrooxazepine
CID 12958754
3-Tert-butyl-4,5-dihydro-1,2-oxazole
CID 13523872

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-ethyl-4,5-dihydro-1,2-oxazole (CID 14907580) is 3-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-ethyl-4,5-dihydro-1,2-oxazole is CCC1=NOCC1.
What is the InChIKey of 3-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is PQTVBURBBPZPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-5-3-4-7-6-5/h2-4H2,1H3.
What are the key properties of 3-ethyl-4,5-dihydro-1,2-oxazole?
3-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 99.13 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 14907580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).