4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide

C8H5BrN2O2S — CID 164655565

IUPAC4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccon1)c1cscc1Br
InChIInChI=1S/C8H5BrN2O2S/c9-6-4-14-3-5(6)8(12)10-7-1-2-13-11-7/h1-4H,(H,10,11,12)
InChIKeyOBOBPWYTRAASGH-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.75
Rot. Bonds2

About 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide

4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide (PubChem CID 164655565) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide
PubChem CID164655565
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Name4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccon1)c1cscc1Br
InChIInChI=1S/C8H5BrN2O2S/c9-6-4-14-3-5(6)8(12)10-7-1-2-13-11-7/h1-4H,(H,10,11,12)
InChIKeyOBOBPWYTRAASGH-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 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide (CID 164655565) is 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide is O=C(Nc1ccon1)c1cscc1Br.
What is the InChIKey of 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide?
The InChIKey is OBOBPWYTRAASGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c9-6-4-14-3-5(6)8(12)10-7-1-2-13-11-7/h1-4H,(H,10,11,12).
What are the key properties of 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide?
4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-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 4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 164655565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).