3-(chloromethyl)-5-methyl-1,2-oxazole

C5H6ClNO — CID 2735763

IUPAC3-(chloromethyl)-5-methyl-1,2-oxazole
SMILESCc1cc(CCl)no1
InChIInChI=1S/C5H6ClNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChIKeyFEXTXBAFBURKGS-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.72
Rot. Bonds1

About 3-(chloromethyl)-5-methyl-1,2-oxazole

3-(chloromethyl)-5-methyl-1,2-oxazole (PubChem CID 2735763) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 3-(chloromethyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-methyl-1,2-oxazole
PubChem CID2735763
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name3-(chloromethyl)-5-methyl-1,2-oxazole
SMILESCc1cc(CCl)no1
InChIInChI=1S/C5H6ClNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChIKeyFEXTXBAFBURKGS-UHFFFAOYSA-N
XLogP1.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(chloromethyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-methyl-1,2-oxazole (CID 2735763) is 3-(chloromethyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-methyl-1,2-oxazole is Cc1cc(CCl)no1.
What is the InChIKey of 3-(chloromethyl)-5-methyl-1,2-oxazole?
The InChIKey is FEXTXBAFBURKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3.
What are the key properties of 3-(chloromethyl)-5-methyl-1,2-oxazole?
3-(chloromethyl)-5-methyl-1,2-oxazole has a molecular weight of 131.56 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 2735763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).