4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole

C7H10BrNO2 — CID 79154138

IUPAC4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole
SMILESCOCCc1ocnc1CBr
InChIInChI=1S/C7H10BrNO2/c1-10-3-2-7-6(4-8)9-5-11-7/h5H,2-4H2,1H3
InChIKeyAVAMOKFMDDCRMH-UHFFFAOYSA-N
MW220.07 g/mol
LogP1.76
Rot. Bonds4

About 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole

4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole (PubChem CID 79154138) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole
PubChem CID79154138
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole
SMILESCOCCc1ocnc1CBr
InChIInChI=1S/C7H10BrNO2/c1-10-3-2-7-6(4-8)9-5-11-7/h5H,2-4H2,1H3
InChIKeyAVAMOKFMDDCRMH-UHFFFAOYSA-N
XLogP1.76
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole (CID 79154138) is 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole is COCCc1ocnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole?
The InChIKey is AVAMOKFMDDCRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2/c1-10-3-2-7-6(4-8)9-5-11-7/h5H,2-4H2,1H3.
What are the key properties of 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole?
4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole has a molecular weight of 220.07 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(2-methoxyethyl)-1,3-oxazole is sourced from PubChem (CID 79154138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).