2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole

C10H6BrF2NOS — CID 106270296

IUPAC2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole
SMILESFc1ccc(Br)c(F)c1CSc1ncco1
InChIInChI=1S/C10H6BrF2NOS/c11-7-1-2-8(12)6(9(7)13)5-16-10-14-3-4-15-10/h1-4H,5H2
InChIKeyFNBUGKIHEGSZNT-UHFFFAOYSA-N
MW306.13 g/mol
LogP4.01
Rot. Bonds3

About 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole

2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole (PubChem CID 106270296) has the molecular formula C10H6BrF2NOS and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole
PubChem CID106270296
Molecular FormulaC10H6BrF2NOS
Molecular Weight306.13 g/mol
Exact Mass304.93
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole
SMILESFc1ccc(Br)c(F)c1CSc1ncco1
InChIInChI=1S/C10H6BrF2NOS/c11-7-1-2-8(12)6(9(7)13)5-16-10-14-3-4-15-10/h1-4H,5H2
InChIKeyFNBUGKIHEGSZNT-UHFFFAOYSA-N
XLogP4.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-Difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
CID 67022440
2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,6-Difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
CID 67022564
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2-Chloro-3,6-difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022689
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
methyl 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)ethanimidothioate
CID 178144044
4-Fluoro-3-(1,3-oxazol-2-ylsulfanylmethyl)benzonitrile
CID 106922463
3-Fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)benzonitrile
CID 106922489

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole (CID 106270296) is 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole is Fc1ccc(Br)c(F)c1CSc1ncco1.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole?
The InChIKey is FNBUGKIHEGSZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NOS/c11-7-1-2-8(12)6(9(7)13)5-16-10-14-3-4-15-10/h1-4H,5H2.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole?
2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole has a molecular weight of 306.13 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 106270296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).