2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole

C6H10ClNO — CID 10240954

IUPAC2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CCl)=N1
InChIInChI=1S/C6H10ClNO/c1-6(2)4-9-5(3-7)8-6/h3-4H2,1-2H3
InChIKeyLVPIFYYRWKTPQY-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.43
Rot. Bonds1

About 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole

2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10240954) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10240954
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CCl)=N1
InChIInChI=1S/C6H10ClNO/c1-6(2)4-9-5(3-7)8-6/h3-4H2,1-2H3
InChIKeyLVPIFYYRWKTPQY-UHFFFAOYSA-N
XLogP1.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.43
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 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole (CID 10240954) is 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(CCl)=N1.
What is the InChIKey of 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is LVPIFYYRWKTPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-6(2)4-9-5(3-7)8-6/h3-4H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 147.60 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10240954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).