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

C24H19FN2O4S — CID 2166324

IUPACethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C24H19FN2O4S/c1-3-30-24(29)20-18(15-9-11-17(25)12-10-15)13-32-23(20)26-22(28)19-14(2)31-27-21(19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeyVAMRUECCPLQLAY-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.95
Rot. Bonds6

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

ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 2166324) has the molecular formula C24H19FN2O4S and a molecular weight of 450.49 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
PubChem CID2166324
Molecular FormulaC24H19FN2O4S
Molecular Weight450.49 g/mol
Exact Mass450.10
IUPAC Nameethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C24H19FN2O4S/c1-3-30-24(29)20-18(15-9-11-17(25)12-10-15)13-32-23(20)26-22(28)19-14(2)31-27-21(19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeyVAMRUECCPLQLAY-UHFFFAOYSA-N
XLogP5.95
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.95
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-fluorophenyl)-2-[(5-methyl-3-phenyl-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

N-(3-cyanothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2522158
methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1001041
Ethyl 5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate
CID 1748303
Methyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate
CID 1222720
Ethyl 4-(3-methylphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 1748344
Ethyl 2-{[5-(4-fluorophenyl)isoxazol-3-yl]carbonylamino}-4-phenylthiophene-3-c arboxylate
CID 15988806
Methyl 3-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-2-thiophenecarboxylate
CID 896934
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1358448
Methyl 4-ethyl-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 1010915
methyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1358552
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2121217
[2-[(3-Ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2539711

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate (CID 2166324) is ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is VAMRUECCPLQLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4S/c1-3-30-24(29)20-18(15-9-11-17(25)12-10-15)13-32-23(20)26-22(28)19-14(2)31-27-21(19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,26,28).
What are the key properties of ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 450.49 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2166324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).