N-ethyl oxazole

C5H9NO — CID 23317920

IUPAC3-ethyl-2H-1,3-oxazole
SMILESCCN1COC=C1
InChIInChI=1S/C5H9NO/c1-2-6-3-4-7-5-6/h3-4H,2,5H2,1H3
InChIKeyHWFCAGXTBMVNAJ-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.80
Rot. Bonds1

About N-ethyl oxazole

N-ethyl oxazole (PubChem CID 23317920) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3-ethyl-2H-1,3-oxazole.

Molecular Properties

Compound NameN-ethyl oxazole
PubChem CID23317920
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3-ethyl-2H-1,3-oxazole
SMILESCCN1COC=C1
InChIInChI=1S/C5H9NO/c1-2-6-3-4-7-5-6/h3-4H,2,5H2,1H3
InChIKeyHWFCAGXTBMVNAJ-UHFFFAOYSA-N
XLogP0.80
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity80

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dehydro-N-methylmorpholine
CID 18704486
4-Methyl-1,4-oxazine
CID 15331497
4-Ethyl-1,4-oxazine
CID 70658841
N-methyl oxazoline
CID 19079310
1-ethoxy-N-ethyl-N-methylethenamine
CID 134987246
3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole
CID 54161646
2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole
CID 90237576
4-fluoro-2,3-dimethyl-2H-1,3-oxazole
CID 146392907
[(Z)-2-methoxyethenyl]-trimethylazanium bromide
CID 134986601
[(Z)-2-ethoxyethenyl]-trimethylazanium bromide
CID 134986713
3-Methyl-1,3-oxazole-2-thione
CID 13828848
3-ethenyl-2H-1,3-oxazole
CID 18430596

Frequently Asked Questions

What is the IUPAC name of N-ethyl oxazole?
The IUPAC name of N-ethyl oxazole (CID 23317920) is 3-ethyl-2H-1,3-oxazole.
What is the SMILES notation for N-ethyl oxazole?
The canonical SMILES for N-ethyl oxazole is CCN1COC=C1.
What is the InChIKey of N-ethyl oxazole?
The InChIKey is HWFCAGXTBMVNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-6-3-4-7-5-6/h3-4H,2,5H2,1H3.
What are the key properties of N-ethyl oxazole?
N-ethyl oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl oxazole is sourced from PubChem (CID 23317920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).