4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole

C8H6ClNOS — CID 71757224

IUPAC4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole
SMILESClCc1cnoc1-c1cccs1
InChIInChI=1S/C8H6ClNOS/c9-4-6-5-10-11-8(6)7-2-1-3-12-7/h1-3,5H,4H2
InChIKeyBKQCXZXYOIAWGV-UHFFFAOYSA-N
MW199.66 g/mol
LogP3.14
Rot. Bonds2

About 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole

4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole (PubChem CID 71757224) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole
PubChem CID71757224
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole
SMILESClCc1cnoc1-c1cccs1
InChIInChI=1S/C8H6ClNOS/c9-4-6-5-10-11-8(6)7-2-1-3-12-7/h1-3,5H,4H2
InChIKeyBKQCXZXYOIAWGV-UHFFFAOYSA-N
XLogP3.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.14
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-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole (CID 71757224) is 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole is ClCc1cnoc1-c1cccs1.
What is the InChIKey of 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is BKQCXZXYOIAWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c9-4-6-5-10-11-8(6)7-2-1-3-12-7/h1-3,5H,4H2.
What are the key properties of 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole?
4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole has a molecular weight of 199.66 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 71757224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).