2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole

C10H7BrFNOS — CID 106924329

IUPAC2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole
SMILESFc1cc(Br)cc(CSc2ncco2)c1
InChIInChI=1S/C10H7BrFNOS/c11-8-3-7(4-9(12)5-8)6-15-10-13-1-2-14-10/h1-5H,6H2
InChIKeyGVTUEHIEXWSNEX-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.87
Rot. Bonds3

About 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole

2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole (PubChem CID 106924329) has the molecular formula C10H7BrFNOS and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole
PubChem CID106924329
Molecular FormulaC10H7BrFNOS
Molecular Weight288.14 g/mol
Exact Mass286.94
IUPAC Name2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole
SMILESFc1cc(Br)cc(CSc2ncco2)c1
InChIInChI=1S/C10H7BrFNOS/c11-8-3-7(4-9(12)5-8)6-15-10-13-1-2-14-10/h1-5H,6H2
InChIKeyGVTUEHIEXWSNEX-UHFFFAOYSA-N
XLogP3.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole
CID 130685156
2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 79680018
2-[(3-bromo-5-fluorophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 79679829
5-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 79671099
2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-benzoxazol-5-amine
CID 79708840
5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106926129
6-[(3-bromo-5-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 79704274
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
CID 131207073
3-[(3-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 79701306
2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
CID 130608822

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole (CID 106924329) is 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole is Fc1cc(Br)cc(CSc2ncco2)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole?
The InChIKey is GVTUEHIEXWSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNOS/c11-8-3-7(4-9(12)5-8)6-15-10-13-1-2-14-10/h1-5H,6H2.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole?
2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole has a molecular weight of 288.14 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 106924329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).