3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole

C10H10BrNO2 — CID 91532292

IUPAC3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESCOc1ccccc1C1C=C(Br)NO1
InChIInChI=1S/C10H10BrNO2/c1-13-8-5-3-2-4-7(8)9-6-10(11)12-14-9/h2-6,9,12H,1H3
InChIKeyVVFFRAFPDBJHAK-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.51
Rot. Bonds2

About 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole

3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91532292) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole
PubChem CID91532292
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESCOc1ccccc1C1C=C(Br)NO1
InChIInChI=1S/C10H10BrNO2/c1-13-8-5-3-2-4-7(8)9-6-10(11)12-14-9/h2-6,9,12H,1H3
InChIKeyVVFFRAFPDBJHAK-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 22752537
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CID 10452748
(6R)-6-(2-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyran
CID 134996073
1-cyclopropyl-2-methoxybenzene;ethane
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(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine
CID 141328863
5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546355
4-(2-methoxyphenyl)piperidine
CID 544738
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
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CID 121009799

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole (CID 91532292) is 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole is COc1ccccc1C1C=C(Br)NO1.
What is the InChIKey of 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is VVFFRAFPDBJHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-13-8-5-3-2-4-7(8)9-6-10(11)12-14-9/h2-6,9,12H,1H3.
What are the key properties of 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole?
3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 256.10 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91532292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).