5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

C8H5BrN2O2S — CID 62415253

IUPAC5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnoc1)c1ccc(Br)s1
InChIInChI=1S/C8H5BrN2O2S/c9-7-2-1-6(14-7)8(12)11-5-3-10-13-4-5/h1-4H,(H,11,12)
InChIKeyFFDUNQNPGRXVJS-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.75
Rot. Bonds2

About 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide (PubChem CID 62415253) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
PubChem CID62415253
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Name5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnoc1)c1ccc(Br)s1
InChIInChI=1S/C8H5BrN2O2S/c9-7-2-1-6(14-7)8(12)11-5-3-10-13-4-5/h1-4H,(H,11,12)
InChIKeyFFDUNQNPGRXVJS-UHFFFAOYSA-N
XLogP2.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide (CID 62415253) is 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide is O=C(Nc1cnoc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The InChIKey is FFDUNQNPGRXVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c9-7-2-1-6(14-7)8(12)11-5-3-10-13-4-5/h1-4H,(H,11,12).
What are the key properties of 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide has a molecular weight of 273.11 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 62415253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).