2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole

C8H5BrN2OS — CID 106924193

IUPAC2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESBrc1cnccc1Sc1ncco1
InChIInChI=1S/C8H5BrN2OS/c9-6-5-10-2-1-7(6)13-8-11-3-4-12-8/h1-5H
InChIKeyZOQNDTBCVUJTRX-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.98
Rot. Bonds2

About 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole

2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole (PubChem CID 106924193) has the molecular formula C8H5BrN2OS and a molecular weight of 257.11 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
PubChem CID106924193
Molecular FormulaC8H5BrN2OS
Molecular Weight257.11 g/mol
Exact Mass255.93
IUPAC Name2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESBrc1cnccc1Sc1ncco1
InChIInChI=1S/C8H5BrN2OS/c9-6-5-10-2-1-7(6)13-8-11-3-4-12-8/h1-5H
InChIKeyZOQNDTBCVUJTRX-UHFFFAOYSA-N
XLogP2.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine
CID 107781341
(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol
CID 106926854
2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106924225
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136914225
2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 106898503
2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926336
2-[(3-bromo-4-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 104779064
3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 104778992
2-bromo-3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 107540893
5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923003
5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
3-bromo-4-(3-chloropropylsulfanyl)pyridine
CID 104777345

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole (CID 106924193) is 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole is Brc1cnccc1Sc1ncco1.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole?
The InChIKey is ZOQNDTBCVUJTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS/c9-6-5-10-2-1-7(6)13-8-11-3-4-12-8/h1-5H.
What are the key properties of 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole?
2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole has a molecular weight of 257.11 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole is sourced from PubChem (CID 106924193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).