2-chloro-5-ethyl-1,3-oxazole

C5H6ClNO — CID 59930213

IUPAC2-chloro-5-ethyl-1,3-oxazole
SMILESCCc1cnc(Cl)o1
InChIInChI=1S/C5H6ClNO/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3
InChIKeyHWISPMXQFLPGJQ-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.89
Rot. Bonds1

About 2-chloro-5-ethyl-1,3-oxazole

2-chloro-5-ethyl-1,3-oxazole (PubChem CID 59930213) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 2-chloro-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-ethyl-1,3-oxazole
PubChem CID59930213
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name2-chloro-5-ethyl-1,3-oxazole
SMILESCCc1cnc(Cl)o1
InChIInChI=1S/C5H6ClNO/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3
InChIKeyHWISPMXQFLPGJQ-UHFFFAOYSA-N
XLogP1.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-ethyl-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-1,3-oxazole?
The IUPAC name of 2-chloro-5-ethyl-1,3-oxazole (CID 59930213) is 2-chloro-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-chloro-5-ethyl-1,3-oxazole is CCc1cnc(Cl)o1.
What is the InChIKey of 2-chloro-5-ethyl-1,3-oxazole?
The InChIKey is HWISPMXQFLPGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3.
What are the key properties of 2-chloro-5-ethyl-1,3-oxazole?
2-chloro-5-ethyl-1,3-oxazole has a molecular weight of 131.56 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-1,3-oxazole is sourced from PubChem (CID 59930213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).