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

C12H12N2O4S — CID 1247018

IUPACmethyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C12H12N2O4S/c1-6-9(7(2)18-14-6)11(15)13-8-4-5-19-10(8)12(16)17-3/h4-5H,1-3H3,(H,13,15)
InChIKeyFQJAQQUYUOJKGL-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.39
Rot. Bonds3

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

methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 1247018) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate
PubChem CID1247018
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Namemethyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C12H12N2O4S/c1-6-9(7(2)18-14-6)11(15)13-8-4-5-19-10(8)12(16)17-3/h4-5H,1-3H3,(H,13,15)
InChIKeyFQJAQQUYUOJKGL-UHFFFAOYSA-N
XLogP2.39
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate (CID 1247018) is methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1c(C)noc1C.
What is the InChIKey of methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is FQJAQQUYUOJKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-6-9(7(2)18-14-6)11(15)13-8-4-5-19-10(8)12(16)17-3/h4-5H,1-3H3,(H,13,15).
What are the key properties of methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 1247018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).