methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate

C12H13N3O4S — CID 138014307

IUPACmethyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)NCc2nocc2C)c1
InChIInChI=1S/C12H13N3O4S/c1-7-5-19-15-9(7)4-13-12(17)14-10-3-8(6-20-10)11(16)18-2/h3,5-6H,4H2,1-2H3,(H2,13,14,17)
InChIKeyRJHJOEPNBMSZHK-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.15
Rot. Bonds4

About methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate

methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate (PubChem CID 138014307) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate
PubChem CID138014307
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Namemethyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)NCc2nocc2C)c1
InChIInChI=1S/C12H13N3O4S/c1-7-5-19-15-9(7)4-13-12(17)14-10-3-8(6-20-10)11(16)18-2/h3,5-6H,4H2,1-2H3,(H2,13,14,17)
InChIKeyRJHJOEPNBMSZHK-UHFFFAOYSA-N
XLogP2.15
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate (CID 138014307) is methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate is COC(=O)c1csc(NC(=O)NCc2nocc2C)c1.
What is the InChIKey of methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate?
The InChIKey is RJHJOEPNBMSZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-7-5-19-15-9(7)4-13-12(17)14-10-3-8(6-20-10)11(16)18-2/h3,5-6H,4H2,1-2H3,(H2,13,14,17).
What are the key properties of methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate?
methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate has a molecular weight of 295.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 138014307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).