3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole

C11H12BrNO3 — CID 102548676

IUPAC3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccccc1OCC1CC(Br)=NO1
InChIInChI=1S/C11H12BrNO3/c1-14-9-4-2-3-5-10(9)15-7-8-6-11(12)13-16-8/h2-5,8H,6-7H2,1H3
InChIKeyFQSFRPPGIMPMTB-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.57
Rot. Bonds4

About 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole

3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 102548676) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID102548676
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccccc1OCC1CC(Br)=NO1
InChIInChI=1S/C11H12BrNO3/c1-14-9-4-2-3-5-10(9)15-7-8-6-11(12)13-16-8/h2-5,8H,6-7H2,1H3
InChIKeyFQSFRPPGIMPMTB-UHFFFAOYSA-N
XLogP2.57
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole (CID 102548676) is 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole is COc1ccccc1OCC1CC(Br)=NO1.
What is the InChIKey of 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is FQSFRPPGIMPMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-14-9-4-2-3-5-10(9)15-7-8-6-11(12)13-16-8/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole?
3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 286.12 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102548676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).