ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate

C24H18Cl2N2O4S — CID 4288230

IUPACethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C24H18Cl2N2O4S/c1-3-31-24(30)20-17(14-8-10-15(25)11-9-14)12-33-23(20)27-22(29)19-13(2)32-28-21(19)16-6-4-5-7-18(16)26/h4-12H,3H2,1-2H3,(H,27,29)
InChIKeyUDRFQBKSQWJXQX-UHFFFAOYSA-N
MW501.39 g/mol
LogP7.11
Rot. Bonds6

About ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate

ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 4288230) has the molecular formula C24H18Cl2N2O4S and a molecular weight of 501.39 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate
PubChem CID4288230
Molecular FormulaC24H18Cl2N2O4S
Molecular Weight501.39 g/mol
Exact Mass500.04
IUPAC Nameethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C24H18Cl2N2O4S/c1-3-31-24(30)20-17(14-8-10-15(25)11-9-14)12-33-23(20)27-22(29)19-13(2)32-28-21(19)16-6-4-5-7-18(16)26/h4-12H,3H2,1-2H3,(H,27,29)
InChIKeyUDRFQBKSQWJXQX-UHFFFAOYSA-N
XLogP7.11
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.39
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-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

ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 4116985
methyl 4-(4-chlorophenyl)-2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate
CID 3635023
ethyl 4-(4-chlorophenyl)-2-[[4-[[4-(4-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]benzoyl]amino]thiophene-3-carboxylate
CID 3550805
ethyl 4-(4-chlorophenyl)-2-(ethoxycarbonylamino)thiophene-3-carboxylate
CID 1291533
ethyl 3-(3-chlorophenyl)-5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16818992
ethyl 4-(4-chlorophenyl)-2-(propanoylamino)thiophene-3-carboxylate
CID 725127
ethyl 6-acetyl-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950195
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 994819
ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate
CID 2354399
ethyl 2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3366464
propan-2-yl 4-(4-butan-2-ylphenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 3304694
3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1303357

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate (CID 4288230) is ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is UDRFQBKSQWJXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O4S/c1-3-31-24(30)20-17(14-8-10-15(25)11-9-14)12-33-23(20)27-22(29)19-13(2)32-28-21(19)16-6-4-5-7-18(16)26/h4-12H,3H2,1-2H3,(H,27,29).
What are the key properties of ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate?
ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 501.39 g/mol, XLogP of 7.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 4288230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).