ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

C20H20N2O5S — CID 15988764

IUPACethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3OC)on2)sc(C)c1C
InChIInChI=1S/C20H20N2O5S/c1-5-26-20(24)17-11(2)12(3)28-19(17)21-18(23)14-10-16(27-22-14)13-8-6-7-9-15(13)25-4/h6-10H,5H2,1-4H3,(H,21,23)
InChIKeyGVWKYEIXWCWAGG-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.46
Rot. Bonds6

About ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 15988764) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID15988764
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Nameethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3OC)on2)sc(C)c1C
InChIInChI=1S/C20H20N2O5S/c1-5-26-20(24)17-11(2)12(3)28-19(17)21-18(23)14-10-16(27-22-14)13-8-6-7-9-15(13)25-4/h6-10H,5H2,1-4H3,(H,21,23)
InChIKeyGVWKYEIXWCWAGG-UHFFFAOYSA-N
XLogP4.46
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 15988764) is ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3OC)on2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is GVWKYEIXWCWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-5-26-20(24)17-11(2)12(3)28-19(17)21-18(23)14-10-16(27-22-14)13-8-6-7-9-15(13)25-4/h6-10H,5H2,1-4H3,(H,21,23).
What are the key properties of ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 400.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 15988764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).