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

C13H14N2O4S — CID 16879902

IUPACmethyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(C)no2)sc(C)c1C
InChIInChI=1S/C13H14N2O4S/c1-6-5-9(19-15-6)11(16)14-12-10(13(17)18-4)7(2)8(3)20-12/h5H,1-4H3,(H,14,16)
InChIKeyDVSPNOASWYLFQJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.70
Rot. Bonds3

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

methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 16879902) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate
PubChem CID16879902
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Namemethyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(C)no2)sc(C)c1C
InChIInChI=1S/C13H14N2O4S/c1-6-5-9(19-15-6)11(16)14-12-10(13(17)18-4)7(2)8(3)20-12/h5H,1-4H3,(H,14,16)
InChIKeyDVSPNOASWYLFQJ-UHFFFAOYSA-N
XLogP2.70
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate (CID 16879902) is methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cc(C)no2)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is DVSPNOASWYLFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-6-5-9(19-15-6)11(16)14-12-10(13(17)18-4)7(2)8(3)20-12/h5H,1-4H3,(H,14,16).
What are the key properties of methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 16879902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).