5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole

C10H7BrFNO2 — CID 117187944

IUPAC5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole
SMILESFc1cccc(OCc2ncc(Br)o2)c1
InChIInChI=1S/C10H7BrFNO2/c11-9-5-13-10(15-9)6-14-8-3-1-2-7(12)4-8/h1-5H,6H2
InChIKeyDKLUHIMUCHNDDD-UHFFFAOYSA-N
MW272.07 g/mol
LogP3.16
Rot. Bonds3

About 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole

5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole (PubChem CID 117187944) has the molecular formula C10H7BrFNO2 and a molecular weight of 272.07 g/mol. Its IUPAC name is 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole
PubChem CID117187944
Molecular FormulaC10H7BrFNO2
Molecular Weight272.07 g/mol
Exact Mass270.96
IUPAC Name5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole
SMILESFc1cccc(OCc2ncc(Br)o2)c1
InChIInChI=1S/C10H7BrFNO2/c11-9-5-13-10(15-9)6-14-8-3-1-2-7(12)4-8/h1-5H,6H2
InChIKeyDKLUHIMUCHNDDD-UHFFFAOYSA-N
XLogP3.16
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-1,3-oxazol-2-yl)methoxy]phenol
CID 117187926
[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol
CID 82080187
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
CID 130899394
2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
CID 117187295
2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol
CID 117240583
2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one
CID 71731018
2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
8-chloro-3-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256832
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893665
5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole
CID 70277735

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole?
The IUPAC name of 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole (CID 117187944) is 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole is Fc1cccc(OCc2ncc(Br)o2)c1.
What is the InChIKey of 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole?
The InChIKey is DKLUHIMUCHNDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2/c11-9-5-13-10(15-9)6-14-8-3-1-2-7(12)4-8/h1-5H,6H2.
What are the key properties of 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole?
5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole has a molecular weight of 272.07 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 117187944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).