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

C10H7BrFNO2 — CID 163255013

IUPAC4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole
SMILESFc1ccc(OCc2cocn2)cc1Br
InChIInChI=1S/C10H7BrFNO2/c11-9-3-8(1-2-10(9)12)15-5-7-4-14-6-13-7/h1-4,6H,5H2
InChIKeyIJZDYVRVBPEVDX-UHFFFAOYSA-N
MW272.07 g/mol
LogP3.16
Rot. Bonds3

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

4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole (PubChem CID 163255013) has the molecular formula C10H7BrFNO2 and a molecular weight of 272.07 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole
PubChem CID163255013
Molecular FormulaC10H7BrFNO2
Molecular Weight272.07 g/mol
Exact Mass270.96
IUPAC Name4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole
SMILESFc1ccc(OCc2cocn2)cc1Br
InChIInChI=1S/C10H7BrFNO2/c11-9-3-8(1-2-10(9)12)15-5-7-4-14-6-13-7/h1-4,6H,5H2
InChIKeyIJZDYVRVBPEVDX-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-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
CID 163255149
6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
CID 83234987
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
6-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 163255214
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
5-[(3-bromo-4-fluorophenoxy)methyl]-3-ethyl-1-methylpyrazole
CID 83233382
2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 163255292
3-[(3-bromo-4-fluorophenoxy)methyl]-4,5-dimethyl-1,2,4-triazole
CID 83236459
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
CID 163255021

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole?
The IUPAC name of 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole (CID 163255013) is 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole is Fc1ccc(OCc2cocn2)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole?
The InChIKey is IJZDYVRVBPEVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2/c11-9-3-8(1-2-10(9)12)15-5-7-4-14-6-13-7/h1-4,6H,5H2.
What are the key properties of 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole?
4-[(3-bromo-4-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 4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 163255013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).