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

C20H20N2O4S — CID 1010915

IUPACmethyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)c2c(-c3ccccc3)noc2C)c1C(=O)OC
InChIInChI=1S/C20H20N2O4S/c1-5-14-12(3)27-19(16(14)20(24)25-4)21-18(23)15-11(2)26-22-17(15)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3,(H,21,23)
InChIKeyBQFZTGQOJLXRBF-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.62
Rot. Bonds5

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

methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 1010915) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
PubChem CID1010915
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Namemethyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)c2c(-c3ccccc3)noc2C)c1C(=O)OC
InChIInChI=1S/C20H20N2O4S/c1-5-14-12(3)27-19(16(14)20(24)25-4)21-18(23)15-11(2)26-22-17(15)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3,(H,21,23)
InChIKeyBQFZTGQOJLXRBF-UHFFFAOYSA-N
XLogP4.62
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-ethyl-5-methyl-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
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
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
Methyl 5-[(dimethylamino)carbonyl]-2-{[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]amino}-4-methyl-3-thiophenecarboxylate
CID 1244031
Ethyl 4-(3-methylphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 1748344
Ethyl 4-(4-fluorophenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 2166324
Ethyl 2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5309829
Ethyl 2-{[5-(2-methoxyphenyl)isoxazol-3-yl]carbonylamino}-4,5-dimethylthiophen e-3-carboxylate
CID 15988764
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate (CID 1010915) is methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate is CCc1c(C)sc(NC(=O)c2c(-c3ccccc3)noc2C)c1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is BQFZTGQOJLXRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-5-14-12(3)27-19(16(14)20(24)25-4)21-18(23)15-11(2)26-22-17(15)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3,(H,21,23).
What are the key properties of methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate?
methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1010915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).