3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole

C8H7BrN2OS — CID 67445838

IUPAC3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1nc(-c2cc(CBr)no2)cs1
InChIInChI=1S/C8H7BrN2OS/c1-5-10-7(4-13-5)8-2-6(3-9)11-12-8/h2,4H,3H2,1H3
InChIKeyWNDBXQJUQYWZGG-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.00
Rot. Bonds2

About 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole

3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 67445838) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID67445838
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1nc(-c2cc(CBr)no2)cs1
InChIInChI=1S/C8H7BrN2OS/c1-5-10-7(4-13-5)8-2-6(3-9)11-12-8/h2,4H,3H2,1H3
InChIKeyWNDBXQJUQYWZGG-UHFFFAOYSA-N
XLogP3.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole (CID 67445838) is 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole is Cc1nc(-c2cc(CBr)no2)cs1.
What is the InChIKey of 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is WNDBXQJUQYWZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c1-5-10-7(4-13-5)8-2-6(3-9)11-12-8/h2,4H,3H2,1H3.
What are the key properties of 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole has a molecular weight of 259.13 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 67445838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).