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

C10H8Br2N2OS — CID 106924228

IUPAC2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ncc(Br)cc2Br)oc1C
InChIInChI=1S/C10H8Br2N2OS/c1-5-6(2)15-10(14-5)16-9-8(12)3-7(11)4-13-9/h3-4H,1-2H3
InChIKeyCBXPXRLTTDOLIJ-UHFFFAOYSA-N
MW364.06 g/mol
LogP4.36
Rot. Bonds2

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

2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106924228) has the molecular formula C10H8Br2N2OS and a molecular weight of 364.06 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106924228
Molecular FormulaC10H8Br2N2OS
Molecular Weight364.06 g/mol
Exact Mass361.87
IUPAC Name2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ncc(Br)cc2Br)oc1C
InChIInChI=1S/C10H8Br2N2OS/c1-5-6(2)15-10(14-5)16-9-8(12)3-7(11)4-13-9/h3-4H,1-2H3
InChIKeyCBXPXRLTTDOLIJ-UHFFFAOYSA-N
XLogP4.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.06
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrimidin-6-one
CID 106924229
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-methylpyrimidin-2-yl]hydrazine
CID 106928882
3,5-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106374390
1-[5-bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923285
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 106926411
2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923554
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]methanamine
CID 106923770
5-bromo-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
CID 106923290
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]quinolin-3-yl]methanol
CID 106926972
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923049

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole (CID 106924228) is 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2ncc(Br)cc2Br)oc1C.
What is the InChIKey of 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is CBXPXRLTTDOLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2OS/c1-5-6(2)15-10(14-5)16-9-8(12)3-7(11)4-13-9/h3-4H,1-2H3.
What are the key properties of 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 364.06 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106924228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).