phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C19H13Cl2NO4 — CID 2804466

IUPACphenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C19H13Cl2NO4/c1-11-16(18(22-26-11)17-13(20)8-5-9-14(17)21)19(24)25-10-15(23)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyXDRLMNOCADFKOR-UHFFFAOYSA-N
MW390.22 g/mol
LogP5.00
Rot. Bonds5

About phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 2804466) has the molecular formula C19H13Cl2NO4 and a molecular weight of 390.22 g/mol. Its IUPAC name is phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namephenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID2804466
Molecular FormulaC19H13Cl2NO4
Molecular Weight390.22 g/mol
Exact Mass389.02
IUPAC Namephenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C19H13Cl2NO4/c1-11-16(18(22-26-11)17-13(20)8-5-9-14(17)21)19(24)25-10-15(23)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyXDRLMNOCADFKOR-UHFFFAOYSA-N
XLogP5.00
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-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

GW-4064
CID 9893571
Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CID 619436
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168
2-Oxo-2-phenylethyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 569192
Methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
CID 827480
4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-
CID 77521
Ethyl 3-(2,6-dichlorophenyl)isoxazole-5-carboxylate
CID 2726479
Dimethyl 3-(2,6-dichlorophenyl)isoxazole-4,5-dicarboxylate
CID 2726491
[3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl](4-fluorophenyl)methanone
CID 2805187
2,6-dichloro-N-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}oxy)benzenecarboximidoyl cyanide
CID 9580762
2-(2,6-Dichlorophenyl)-2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]methoxy}imino)acetonitrile
CID 9580784
2-Oxo-2-phenylethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
CID 1016479

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 2804466) is phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is XDRLMNOCADFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4/c1-11-16(18(22-26-11)17-13(20)8-5-9-14(17)21)19(24)25-10-15(23)12-6-3-2-4-7-12/h2-9H,10H2,1H3.
What are the key properties of phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 390.22 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2804466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).