5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole

C8H5BrClNOS — CID 22394374

IUPAC5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole
SMILESClc1ccc(-c2cc(CBr)on2)s1
InChIInChI=1S/C8H5BrClNOS/c9-4-5-3-6(11-12-5)7-1-2-8(10)13-7/h1-3H,4H2
InChIKeyBZFMYQAAPNZQHL-UHFFFAOYSA-N
MW278.56 g/mol
LogP3.95
Rot. Bonds2

About 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole

5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole (PubChem CID 22394374) has the molecular formula C8H5BrClNOS and a molecular weight of 278.56 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole
PubChem CID22394374
Molecular FormulaC8H5BrClNOS
Molecular Weight278.56 g/mol
Exact Mass276.90
IUPAC Name5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole
SMILESClc1ccc(-c2cc(CBr)on2)s1
InChIInChI=1S/C8H5BrClNOS/c9-4-5-3-6(11-12-5)7-1-2-8(10)13-7/h1-3H,4H2
InChIKeyBZFMYQAAPNZQHL-UHFFFAOYSA-N
XLogP3.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.56
LogP ≤ 53.95
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 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole?
The IUPAC name of 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole (CID 22394374) is 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole?
The canonical SMILES for 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole is Clc1ccc(-c2cc(CBr)on2)s1.
What is the InChIKey of 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole?
The InChIKey is BZFMYQAAPNZQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNOS/c9-4-5-3-6(11-12-5)7-1-2-8(10)13-7/h1-3H,4H2.
What are the key properties of 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole?
5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole has a molecular weight of 278.56 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole is sourced from PubChem (CID 22394374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).