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

C5H9NO — CID 21274303

IUPAC4-ethyl-2,3-dihydro-1,3-oxazole
SMILESCCC1=COCN1
InChIInChI=1S/C5H9NO/c1-2-5-3-7-4-6-5/h3,6H,2,4H2,1H3
InChIKeyACISGGNUWASFDE-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.82
Rot. Bonds1

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

4-ethyl-2,3-dihydro-1,3-oxazole (PubChem CID 21274303) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1,3-oxazole
PubChem CID21274303
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name4-ethyl-2,3-dihydro-1,3-oxazole
SMILESCCC1=COCN1
InChIInChI=1S/C5H9NO/c1-2-5-3-7-4-6-5/h3,6H,2,4H2,1H3
InChIKeyACISGGNUWASFDE-UHFFFAOYSA-N
XLogP0.82
TPSA21.26 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxypyrroline
CID 12761828
4-Methyl-2,3-dihydro-1,3-oxazole
CID 5257757
2-Ethoxypyrroline
CID 15426392
4-Propyl-2,3-dihydro-1,3-oxazole
CID 19964467
(Z)-1-methoxy-N-methylprop-1-en-2-amine
CID 21305899
2,4-Dimethyl-2,3-dihydro-1,3-oxazole
CID 53631578
4-Tert-butyl-2,3-dihydro-1,3-oxazole
CID 58408042
3-ethyl-4H-1,4-oxazine
CID 68341597
(2Z)-2-(methoxymethylidene)pyrrolidine
CID 70198486
2-(Methoxymethylidene)pyrrolidine
CID 70198487
N-(propoxymethyl)but-1-en-2-amine
CID 89086618
N-methyl-4H-pyran-3-amine
CID 91456500

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2,3-dihydro-1,3-oxazole (CID 21274303) is 4-ethyl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2,3-dihydro-1,3-oxazole is CCC1=COCN1.
What is the InChIKey of 4-ethyl-2,3-dihydro-1,3-oxazole?
The InChIKey is ACISGGNUWASFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-5-3-7-4-6-5/h3,6H,2,4H2,1H3.
What are the key properties of 4-ethyl-2,3-dihydro-1,3-oxazole?
4-ethyl-2,3-dihydro-1,3-oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 21274303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).