2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole

C10H7BrFNO — CID 171846633

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
SMILESFc1cc(Br)ccc1Cc1ncco1
InChIInChI=1S/C10H7BrFNO/c11-8-2-1-7(9(12)6-8)5-10-13-3-4-14-10/h1-4,6H,5H2
InChIKeyXBNZMUPKSLLFHC-UHFFFAOYSA-N
MW256.07 g/mol
LogP3.17
Rot. Bonds2

About 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole

2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole (PubChem CID 171846633) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
PubChem CID171846633
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
SMILESFc1cc(Br)ccc1Cc1ncco1
InChIInChI=1S/C10H7BrFNO/c11-8-2-1-7(9(12)6-8)5-10-13-3-4-14-10/h1-4,6H,5H2
InChIKeyXBNZMUPKSLLFHC-UHFFFAOYSA-N
XLogP3.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 171373540
5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole
CID 66657454
2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol
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1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
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N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine
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CID 133309861
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
CID 88874839
CID 88874839
N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812048
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]pyrimidine
CID 47095311
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
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CID 62600037

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole (CID 171846633) is 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole is Fc1cc(Br)ccc1Cc1ncco1.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole?
The InChIKey is XBNZMUPKSLLFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c11-8-2-1-7(9(12)6-8)5-10-13-3-4-14-10/h1-4,6H,5H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole?
2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole has a molecular weight of 256.07 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole is sourced from PubChem (CID 171846633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).