2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole

C8H6BrNO2S — CID 130685156

IUPAC2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole
SMILESBrc1cc(CSc2ncco2)co1
InChIInChI=1S/C8H6BrNO2S/c9-7-3-6(4-12-7)5-13-8-10-1-2-11-8/h1-4H,5H2
InChIKeySNRUPMVWGUFACS-UHFFFAOYSA-N
MW260.11 g/mol
LogP3.32
Rot. Bonds3

About 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole

2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole (PubChem CID 130685156) has the molecular formula C8H6BrNO2S and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole
PubChem CID130685156
Molecular FormulaC8H6BrNO2S
Molecular Weight260.11 g/mol
Exact Mass258.93
IUPAC Name2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole
SMILESBrc1cc(CSc2ncco2)co1
InChIInChI=1S/C8H6BrNO2S/c9-7-3-6(4-12-7)5-13-8-10-1-2-11-8/h1-4H,5H2
InChIKeySNRUPMVWGUFACS-UHFFFAOYSA-N
XLogP3.32
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole (CID 130685156) is 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole is Brc1cc(CSc2ncco2)co1.
What is the InChIKey of 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole?
The InChIKey is SNRUPMVWGUFACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2S/c9-7-3-6(4-12-7)5-13-8-10-1-2-11-8/h1-4H,5H2.
What are the key properties of 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole?
2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole has a molecular weight of 260.11 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 130685156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).