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

C8H5Cl2NOS — CID 65180092

IUPAC2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole
SMILESClCc1ncc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C8H5Cl2NOS/c9-3-8-11-4-5(12-8)6-1-2-7(10)13-6/h1-2,4H,3H2
InChIKeyBHVABEPCNAQBJP-UHFFFAOYSA-N
MW234.11 g/mol
LogP3.80
Rot. Bonds2

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

2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole (PubChem CID 65180092) has the molecular formula C8H5Cl2NOS and a molecular weight of 234.11 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole
PubChem CID65180092
Molecular FormulaC8H5Cl2NOS
Molecular Weight234.11 g/mol
Exact Mass232.95
IUPAC Name2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole
SMILESClCc1ncc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C8H5Cl2NOS/c9-3-8-11-4-5(12-8)6-1-2-7(10)13-6/h1-2,4H,3H2
InChIKeyBHVABEPCNAQBJP-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 53.80
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 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole (CID 65180092) is 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole is ClCc1ncc(-c2ccc(Cl)s2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole?
The InChIKey is BHVABEPCNAQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NOS/c9-3-8-11-4-5(12-8)6-1-2-7(10)13-6/h1-2,4H,3H2.
What are the key properties of 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole?
2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole has a molecular weight of 234.11 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 65180092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).