7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole

C11H5BrFNO2 — CID 82095537

IUPAC7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole
SMILESFc1cc(Br)c2oc(-c3ccco3)nc2c1
InChIInChI=1S/C11H5BrFNO2/c12-7-4-6(13)5-8-10(7)16-11(14-8)9-2-1-3-15-9/h1-5H
InChIKeyRFOBJGASQREKER-UHFFFAOYSA-N
MW282.07 g/mol
LogP3.99
Rot. Bonds1

About 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole

7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole (PubChem CID 82095537) has the molecular formula C11H5BrFNO2 and a molecular weight of 282.07 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole
PubChem CID82095537
Molecular FormulaC11H5BrFNO2
Molecular Weight282.07 g/mol
Exact Mass280.95
IUPAC Name7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole
SMILESFc1cc(Br)c2oc(-c3ccco3)nc2c1
InChIInChI=1S/C11H5BrFNO2/c12-7-4-6(13)5-8-10(7)16-11(14-8)9-2-1-3-15-9/h1-5H
InChIKeyRFOBJGASQREKER-UHFFFAOYSA-N
XLogP3.99
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.07
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole
CID 82095609
2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396986
7-bromo-2-(3-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 82095605
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917
5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole
CID 79630468
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
[2-(furan-2-yl)-1,3-benzoxazol-6-yl]methanamine
CID 82357432
N-(2-bromo-4,6-difluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3245278
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 50849295
7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 51983742
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
2-[4-(3,5-difluorophenyl)phenyl]furan
CID 168525624

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole?
The IUPAC name of 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole (CID 82095537) is 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole is Fc1cc(Br)c2oc(-c3ccco3)nc2c1.
What is the InChIKey of 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole?
The InChIKey is RFOBJGASQREKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFNO2/c12-7-4-6(13)5-8-10(7)16-11(14-8)9-2-1-3-15-9/h1-5H.
What are the key properties of 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole?
7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole has a molecular weight of 282.07 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 82095537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).