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

C6H6ClNO3 — CID 26369855

IUPACethyl 2-chloro-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Cl)o1
InChIInChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
InChIKeyZFLDTEIDAGWEEI-UHFFFAOYSA-N
MW175.57 g/mol
LogP1.50
Rot. Bonds2

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

ethyl 2-chloro-1,3-oxazole-5-carboxylate (PubChem CID 26369855) has the molecular formula C6H6ClNO3 and a molecular weight of 175.57 g/mol. Its IUPAC name is ethyl 2-chloro-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-1,3-oxazole-5-carboxylate
PubChem CID26369855
Molecular FormulaC6H6ClNO3
Molecular Weight175.57 g/mol
Exact Mass175.00
IUPAC Nameethyl 2-chloro-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Cl)o1
InChIInChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
InChIKeyZFLDTEIDAGWEEI-UHFFFAOYSA-N
XLogP1.50
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.57
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-1,3-oxazole-5-carboxylate (CID 26369855) is ethyl 2-chloro-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(Cl)o1.
What is the InChIKey of ethyl 2-chloro-1,3-oxazole-5-carboxylate?
The InChIKey is ZFLDTEIDAGWEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3.
What are the key properties of ethyl 2-chloro-1,3-oxazole-5-carboxylate?
ethyl 2-chloro-1,3-oxazole-5-carboxylate has a molecular weight of 175.57 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 26369855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).