ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate

C10H7ClN2O6 — CID 175325734

IUPACethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(OC(=O)c2cnc(Cl)o2)o1
InChIInChI=1S/C10H7ClN2O6/c1-2-16-7(14)5-4-13-10(18-5)19-8(15)6-3-12-9(11)17-6/h3-4H,2H2,1H3
InChIKeyFERJEVLTRKWDJB-UHFFFAOYSA-N
MW286.63 g/mol
LogP1.71
Rot. Bonds4

About ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate

ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate (PubChem CID 175325734) has the molecular formula C10H7ClN2O6 and a molecular weight of 286.63 g/mol. Its IUPAC name is ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate
PubChem CID175325734
Molecular FormulaC10H7ClN2O6
Molecular Weight286.63 g/mol
Exact Mass286.00
IUPAC Nameethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(OC(=O)c2cnc(Cl)o2)o1
InChIInChI=1S/C10H7ClN2O6/c1-2-16-7(14)5-4-13-10(18-5)19-8(15)6-3-12-9(11)17-6/h3-4H,2H2,1H3
InChIKeyFERJEVLTRKWDJB-UHFFFAOYSA-N
XLogP1.71
TPSA104.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.63
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate 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 ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate (CID 175325734) is ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(OC(=O)c2cnc(Cl)o2)o1.
What is the InChIKey of ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate?
The InChIKey is FERJEVLTRKWDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O6/c1-2-16-7(14)5-4-13-10(18-5)19-8(15)6-3-12-9(11)17-6/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate?
ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate has a molecular weight of 286.63 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 175325734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).