4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole

C6H8ClNO2 — CID 79153119

IUPAC4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole
SMILESCOCc1ocnc1CCl
InChIInChI=1S/C6H8ClNO2/c1-9-3-6-5(2-7)8-4-10-6/h4H,2-3H2,1H3
InChIKeyBSDDMGIIEBAFTA-UHFFFAOYSA-N
MW161.59 g/mol
LogP1.56
Rot. Bonds3

About 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole

4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole (PubChem CID 79153119) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole
PubChem CID79153119
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole
SMILESCOCc1ocnc1CCl
InChIInChI=1S/C6H8ClNO2/c1-9-3-6-5(2-7)8-4-10-6/h4H,2-3H2,1H3
InChIKeyBSDDMGIIEBAFTA-UHFFFAOYSA-N
XLogP1.56
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.56
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-(methoxymethyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole (CID 79153119) is 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole is COCc1ocnc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole?
The InChIKey is BSDDMGIIEBAFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2/c1-9-3-6-5(2-7)8-4-10-6/h4H,2-3H2,1H3.
What are the key properties of 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole?
4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole has a molecular weight of 161.59 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(methoxymethyl)-1,3-oxazole is sourced from PubChem (CID 79153119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).