3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole

C10H9BrN2O2 — CID 103816173

IUPAC3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2ccc(Br)nc2)no1
InChIInChI=1S/C10H9BrN2O2/c1-7-4-8(13-15-7)6-14-9-2-3-10(11)12-5-9/h2-5H,6H2,1H3
InChIKeyXERUITWFGQTXMQ-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.72
Rot. Bonds3

About 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole

3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole (PubChem CID 103816173) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole
PubChem CID103816173
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2ccc(Br)nc2)no1
InChIInChI=1S/C10H9BrN2O2/c1-7-4-8(13-15-7)6-14-9-2-3-10(11)12-5-9/h2-5H,6H2,1H3
InChIKeyXERUITWFGQTXMQ-UHFFFAOYSA-N
XLogP2.72
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole
CID 172433943
5-Methyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole
CID 172434424
5-Methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole
CID 172437696
5-[(3-Bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole
CID 134958974
3-({1-[(3-Methylisoxazol-5-yl)methyl]piperidin-4-yl}oxy)pyridine
CID 77094813
3-[(2,6-Dimethyl-4-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole
CID 86798926
4-[(2-Fluoro-3-pyridinyl)oxymethyl]-3,5-dimethyl-1,2-oxazole
CID 80110918
5-[(2-Fluoro-3-pyridinyl)oxymethyl]-3-methyl-1,2-oxazole
CID 80110994
3-[(2-Fluoro-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole
CID 80452495
3-[(2-Fluoro-3-pyridinyl)oxymethyl]-5-(methoxymethyl)-1,2-oxazole
CID 80452548
5-[(6-Fluoro-3-pyridinyl)oxymethyl]-3-methyl-1,2-oxazole
CID 115282970
3-[(6-Fluoro-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole
CID 115282978

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole (CID 103816173) is 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole is Cc1cc(COc2ccc(Br)nc2)no1.
What is the InChIKey of 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole?
The InChIKey is XERUITWFGQTXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-7-4-8(13-15-7)6-14-9-2-3-10(11)12-5-9/h2-5H,6H2,1H3.
What are the key properties of 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole?
3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole has a molecular weight of 269.10 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 103816173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).