5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile

C10H4BrFN2O — CID 116858941

IUPAC5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(-c2cc(Br)ccc2F)on1
InChIInChI=1S/C10H4BrFN2O/c11-6-1-2-9(12)8(3-6)10-4-7(5-13)14-15-10/h1-4H
InChIKeyQDKGJDOOCKWFHR-UHFFFAOYSA-N
MW267.06 g/mol
LogP3.11
Rot. Bonds1

About 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile

5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile (PubChem CID 116858941) has the molecular formula C10H4BrFN2O and a molecular weight of 267.06 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile
PubChem CID116858941
Molecular FormulaC10H4BrFN2O
Molecular Weight267.06 g/mol
Exact Mass265.95
IUPAC Name5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(-c2cc(Br)ccc2F)on1
InChIInChI=1S/C10H4BrFN2O/c11-6-1-2-9(12)8(3-6)10-4-7(5-13)14-15-10/h1-4H
InChIKeyQDKGJDOOCKWFHR-UHFFFAOYSA-N
XLogP3.11
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.06
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 116867007
5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile
CID 116858951
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82967172
5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile
CID 116858958
5-(5-bromo-2-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828179
2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile
CID 22329562
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771851
5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858945
3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 116836636
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
[5-(5-bromo-2-fluorophenyl)thiophen-2-yl]methanamine
CID 43556020

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile (CID 116858941) is 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile is N#Cc1cc(-c2cc(Br)ccc2F)on1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile?
The InChIKey is QDKGJDOOCKWFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrFN2O/c11-6-1-2-9(12)8(3-6)10-4-7(5-13)14-15-10/h1-4H.
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile?
5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile has a molecular weight of 267.06 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 116858941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).