[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate

C18H18N2O4S — CID 2502567

IUPAC[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1cc(-n2c(C)cc(C(=O)COC(=O)c3sccc3C)c2C)no1
InChIInChI=1S/C18H18N2O4S/c1-10-5-6-25-17(10)18(22)23-9-15(21)14-7-11(2)20(13(14)4)16-8-12(3)24-19-16/h5-8H,9H2,1-4H3
InChIKeyJBFNOYFLUQKDRT-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.80
Rot. Bonds5

About [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2502567) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2502567
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1cc(-n2c(C)cc(C(=O)COC(=O)c3sccc3C)c2C)no1
InChIInChI=1S/C18H18N2O4S/c1-10-5-6-25-17(10)18(22)23-9-15(21)14-7-11(2)20(13(14)4)16-8-12(3)24-19-16/h5-8H,9H2,1-4H3
InChIKeyJBFNOYFLUQKDRT-UHFFFAOYSA-N
XLogP3.80
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2502567) is [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3sccc3C)c2C)no1.
What is the InChIKey of [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is JBFNOYFLUQKDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-10-5-6-25-17(10)18(22)23-9-15(21)14-7-11(2)20(13(14)4)16-8-12(3)24-19-16/h5-8H,9H2,1-4H3.
What are the key properties of [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2502567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).