[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C17H20N2O6S — CID 4790437

IUPAC[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)OC
InChIInChI=1S/C17H20N2O6S/c1-6-11-14(9(3)25-19-11)17(22)24-7-12(20)18-15-13(16(21)23-5)8(2)10(4)26-15/h6-7H2,1-5H3,(H,18,20)
InChIKeyBDRHGPTYCFJJIG-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.81
Rot. Bonds6

About [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 4790437) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID4790437
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)OC
InChIInChI=1S/C17H20N2O6S/c1-6-11-14(9(3)25-19-11)17(22)24-7-12(20)18-15-13(16(21)23-5)8(2)10(4)26-15/h6-7H2,1-5H3,(H,18,20)
InChIKeyBDRHGPTYCFJJIG-UHFFFAOYSA-N
XLogP2.81
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 5-[(dimethylamino)carbonyl]-2-{[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]amino}-4-methyl-3-thiophenecarboxylate
CID 1244031
4-Cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 2576479
[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2998331
[2-[(3-Ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2539711
ethyl 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4063911
Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 1247104
[2-[(3-Ethoxycarbonyl-4-methyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4786154
Ethyl 2-(4-chloro-3-methyl-1,2-oxazole-5-amido)-4,5-dimethylthiophene-3-carboxylate
CID 16043815
Methyl 4,5-dimethyl-2-(3-methylisoxazole-5-carboxamido)thiophene-3-carboxylate
CID 16879902
Diethyl 5-{[(3,5-dimethyl-4-isoxazolyl)carbonyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1246634
Methyl 2-{[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]amino}-5-propylthiophene-3-carboxylate
CID 1246721
Ethyl 4-ethyl-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 2164137

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 4790437) is [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)OC.
What is the InChIKey of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is BDRHGPTYCFJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-6-11-14(9(3)25-19-11)17(22)24-7-12(20)18-15-13(16(21)23-5)8(2)10(4)26-15/h6-7H2,1-5H3,(H,18,20).
What are the key properties of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4790437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).