2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole

C10H9BrN2OS — CID 106924225

IUPAC2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ccncc2Br)oc1C
InChIInChI=1S/C10H9BrN2OS/c1-6-7(2)14-10(13-6)15-9-3-4-12-5-8(9)11/h3-5H,1-2H3
InChIKeyZTXYVQCYXUFJRZ-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.60
Rot. Bonds2

About 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole

2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106924225) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106924225
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ccncc2Br)oc1C
InChIInChI=1S/C10H9BrN2OS/c1-6-7(2)14-10(13-6)15-9-3-4-12-5-8(9)11/h3-5H,1-2H3
InChIKeyZTXYVQCYXUFJRZ-UHFFFAOYSA-N
XLogP3.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine
CID 107781341
2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924193
2-[(3-bromo-4-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 104779064
2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106924228
1-[5-bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923285
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700
5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 104779107
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 106926411
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine
CID 106921633
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-methoxyaniline
CID 106921652
3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 104778992
(1R)-1-[3-chloro-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923297

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole (CID 106924225) is 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2ccncc2Br)oc1C.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is ZTXYVQCYXUFJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-6-7(2)14-10(13-6)15-9-3-4-12-5-8(9)11/h3-5H,1-2H3.
What are the key properties of 2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 285.17 g/mol, XLogP of 3.60, 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]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106924225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).