5-bromo-2-phenylsulfanyl-1,3-oxazole

C9H6BrNOS — CID 45103170

IUPAC5-bromo-2-phenylsulfanyl-1,3-oxazole
SMILESBrc1cnc(Sc2ccccc2)o1
InChIInChI=1S/C9H6BrNOS/c10-8-6-11-9(12-8)13-7-4-2-1-3-5-7/h1-6H
InChIKeyJXJMCWHDBDNSNS-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.59
Rot. Bonds2

About 5-bromo-2-phenylsulfanyl-1,3-oxazole

5-bromo-2-phenylsulfanyl-1,3-oxazole (PubChem CID 45103170) has the molecular formula C9H6BrNOS and a molecular weight of 256.12 g/mol. Its IUPAC name is 5-bromo-2-phenylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-phenylsulfanyl-1,3-oxazole
PubChem CID45103170
Molecular FormulaC9H6BrNOS
Molecular Weight256.12 g/mol
Exact Mass254.94
IUPAC Name5-bromo-2-phenylsulfanyl-1,3-oxazole
SMILESBrc1cnc(Sc2ccccc2)o1
InChIInChI=1S/C9H6BrNOS/c10-8-6-11-9(12-8)13-7-4-2-1-3-5-7/h1-6H
InChIKeyJXJMCWHDBDNSNS-UHFFFAOYSA-N
XLogP3.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylsulfanyl-1,3-oxazole?
The IUPAC name of 5-bromo-2-phenylsulfanyl-1,3-oxazole (CID 45103170) is 5-bromo-2-phenylsulfanyl-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-phenylsulfanyl-1,3-oxazole?
The canonical SMILES for 5-bromo-2-phenylsulfanyl-1,3-oxazole is Brc1cnc(Sc2ccccc2)o1.
What is the InChIKey of 5-bromo-2-phenylsulfanyl-1,3-oxazole?
The InChIKey is JXJMCWHDBDNSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNOS/c10-8-6-11-9(12-8)13-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-bromo-2-phenylsulfanyl-1,3-oxazole?
5-bromo-2-phenylsulfanyl-1,3-oxazole has a molecular weight of 256.12 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylsulfanyl-1,3-oxazole is sourced from PubChem (CID 45103170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).