ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate

C19H16Cl2FNO3 — CID 163378664

IUPACethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)CC(c2cc(-c3ccccc3Cl)c(F)cc2Cl)=NO1
InChIInChI=1S/C19H16Cl2FNO3/c1-3-25-18(24)19(2)10-17(23-26-19)13-8-12(16(22)9-15(13)21)11-6-4-5-7-14(11)20/h4-9H,3,10H2,1-2H3
InChIKeyLTFGEOUNKDGZGN-UHFFFAOYSA-N
MW396.25 g/mol
LogP5.25
Rot. Bonds4

About ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate

ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 163378664) has the molecular formula C19H16Cl2FNO3 and a molecular weight of 396.25 g/mol. Its IUPAC name is ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
PubChem CID163378664
Molecular FormulaC19H16Cl2FNO3
Molecular Weight396.25 g/mol
Exact Mass395.05
IUPAC Nameethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)CC(c2cc(-c3ccccc3Cl)c(F)cc2Cl)=NO1
InChIInChI=1S/C19H16Cl2FNO3/c1-3-25-18(24)19(2)10-17(23-26-19)13-8-12(16(22)9-15(13)21)11-6-4-5-7-14(11)20/h4-9H,3,10H2,1-2H3
InChIKeyLTFGEOUNKDGZGN-UHFFFAOYSA-N
XLogP5.25
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.25
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-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 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate (CID 163378664) is ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(C)CC(c2cc(-c3ccccc3Cl)c(F)cc2Cl)=NO1.
What is the InChIKey of ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is LTFGEOUNKDGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FNO3/c1-3-25-18(24)19(2)10-17(23-26-19)13-8-12(16(22)9-15(13)21)11-6-4-5-7-14(11)20/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?
ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 396.25 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 163378664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).