4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole

C14H9BrFNO2S — CID 7695771

IUPAC4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFc1cc(Br)ccc1OCc1coc(-c2cccs2)n1
InChIInChI=1S/C14H9BrFNO2S/c15-9-3-4-12(11(16)6-9)18-7-10-8-19-14(17-10)13-2-1-5-20-13/h1-6,8H,7H2
InChIKeyGAYGBZMYUAGMMA-UHFFFAOYSA-N
MW354.20 g/mol
LogP4.88
Rot. Bonds4

About 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole

4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 7695771) has the molecular formula C14H9BrFNO2S and a molecular weight of 354.20 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID7695771
Molecular FormulaC14H9BrFNO2S
Molecular Weight354.20 g/mol
Exact Mass352.95
IUPAC Name4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFc1cc(Br)ccc1OCc1coc(-c2cccs2)n1
InChIInChI=1S/C14H9BrFNO2S/c15-9-3-4-12(11(16)6-9)18-7-10-8-19-14(17-10)13-2-1-5-20-13/h1-6,8H,7H2
InChIKeyGAYGBZMYUAGMMA-UHFFFAOYSA-N
XLogP4.88
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 112787694
1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 26054578
methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
CID 17420011
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
5-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 51100585
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
4-bromo-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 79533714
4-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 18166113
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate
CID 9292901
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 9354046
[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
CID 107558707

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole (CID 7695771) is 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole is Fc1cc(Br)ccc1OCc1coc(-c2cccs2)n1.
What is the InChIKey of 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is GAYGBZMYUAGMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2S/c15-9-3-4-12(11(16)6-9)18-7-10-8-19-14(17-10)13-2-1-5-20-13/h1-6,8H,7H2.
What are the key properties of 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 354.20 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 7695771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).