ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate

C23H26N2O6S — CID 55407226

IUPACethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C23H26N2O6S/c1-6-30-23(27)22-17(24-21(26)10-8-16-13(2)25-31-14(16)3)12-20(32-22)15-7-9-18(28-4)19(11-15)29-5/h7,9,11-12H,6,8,10H2,1-5H3,(H,24,26)
InChIKeyISIFHQCVSGMXOH-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.79
Rot. Bonds9

About ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate

ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate (PubChem CID 55407226) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate
PubChem CID55407226
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Nameethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C23H26N2O6S/c1-6-30-23(27)22-17(24-21(26)10-8-16-13(2)25-31-14(16)3)12-20(32-22)15-7-9-18(28-4)19(11-15)29-5/h7,9,11-12H,6,8,10H2,1-5H3,(H,24,26)
InChIKeyISIFHQCVSGMXOH-UHFFFAOYSA-N
XLogP4.79
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 8573157
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 131947019
ethyl 5-(3,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 35545930
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide
CID 131910828
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122323418
ethyl 2-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66645079
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
ethyl 3-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 16797339
ethyl 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-phenylthiophene-2-carboxylate
CID 41324904
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate (CID 55407226) is ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)CCc1c(C)noc1C.
What is the InChIKey of ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate?
The InChIKey is ISIFHQCVSGMXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-6-30-23(27)22-17(24-21(26)10-8-16-13(2)25-31-14(16)3)12-20(32-22)15-7-9-18(28-4)19(11-15)29-5/h7,9,11-12H,6,8,10H2,1-5H3,(H,24,26).
What are the key properties of ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate?
ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate has a molecular weight of 458.54 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dimethoxyphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 55407226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).