3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole

C10H7BrClNOS — CID 130657367

IUPAC3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole
SMILESClc1ccccc1SCc1cc(Br)no1
InChIInChI=1S/C10H7BrClNOS/c11-10-5-7(14-13-10)6-15-9-4-2-1-3-8(9)12/h1-5H,6H2
InChIKeyDVEOVTHKLNAGRU-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.38
Rot. Bonds3

About 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole

3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole (PubChem CID 130657367) has the molecular formula C10H7BrClNOS and a molecular weight of 304.60 g/mol. Its IUPAC name is 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole
PubChem CID130657367
Molecular FormulaC10H7BrClNOS
Molecular Weight304.60 g/mol
Exact Mass302.91
IUPAC Name3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole
SMILESClc1ccccc1SCc1cc(Br)no1
InChIInChI=1S/C10H7BrClNOS/c11-10-5-7(14-13-10)6-15-9-4-2-1-3-8(9)12/h1-5H,6H2
InChIKeyDVEOVTHKLNAGRU-UHFFFAOYSA-N
XLogP4.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole (CID 130657367) is 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole is Clc1ccccc1SCc1cc(Br)no1.
What is the InChIKey of 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is DVEOVTHKLNAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNOS/c11-10-5-7(14-13-10)6-15-9-4-2-1-3-8(9)12/h1-5H,6H2.
What are the key properties of 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole?
3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 304.60 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-chlorophenyl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 130657367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).