ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate

C8H9ClFNO3 — CID 170720426

IUPACethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)oc1CCF
InChIInChI=1S/C8H9ClFNO3/c1-2-13-7(12)6-5(3-4-10)14-8(9)11-6/h2-4H2,1H3
InChIKeyNGHHFECVZWRDBQ-UHFFFAOYSA-N
MW221.61 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate

ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate (PubChem CID 170720426) has the molecular formula C8H9ClFNO3 and a molecular weight of 221.61 g/mol. Its IUPAC name is ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
PubChem CID170720426
Molecular FormulaC8H9ClFNO3
Molecular Weight221.61 g/mol
Exact Mass221.03
IUPAC Nameethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)oc1CCF
InChIInChI=1S/C8H9ClFNO3/c1-2-13-7(12)6-5(3-4-10)14-8(9)11-6/h2-4H2,1H3
InChIKeyNGHHFECVZWRDBQ-UHFFFAOYSA-N
XLogP2.02
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate 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

4-Oxazolecarboxylic acid, 5-ethyl-, ethyl ester
CID 12214102
Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
CID 21031491
Ethyl 2-chloro-5-methyl-1,3-oxazole-4-carboxylate
CID 66524335
Ethyl 2-chloro-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720773
Ethyl 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole-4-carboxylate
CID 134908982
Ethyl 5-isopropyloxazole-4-carboxylate
CID 12214103
Ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 90956075
Ethyl 5-(3-fluorobut-3-enyl)-1,3-oxazole-4-carboxylate
CID 169579010
Ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720274
Ethyl 2-amino-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720307
Ethane;ethyl 2-chloro-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 170720772
Ethyl 5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylate
CID 61633474

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate (CID 170720426) is ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(Cl)oc1CCF.
What is the InChIKey of ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is NGHHFECVZWRDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO3/c1-2-13-7(12)6-5(3-4-10)14-8(9)11-6/h2-4H2,1H3.
What are the key properties of ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate?
ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 221.61 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170720426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).