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

C6H8ClNO — CID 15176125

IUPAC2-(chloromethyl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CCl)oc1C
InChIInChI=1S/C6H8ClNO/c1-4-5(2)9-6(3-7)8-4/h3H2,1-2H3
InChIKeyGSPWHVKFXFSWBG-UHFFFAOYSA-N
MW145.59 g/mol
LogP2.03
Rot. Bonds1

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

2-(chloromethyl)-4,5-dimethyl-1,3-oxazole (PubChem CID 15176125) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,5-dimethyl-1,3-oxazole
PubChem CID15176125
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name2-(chloromethyl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CCl)oc1C
InChIInChI=1S/C6H8ClNO/c1-4-5(2)9-6(3-7)8-4/h3H2,1-2H3
InChIKeyGSPWHVKFXFSWBG-UHFFFAOYSA-N
XLogP2.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isopropyl-4,5-dimethyloxazole
CID 29644
4-(Chloromethyl)-2,5-dimethyl-1,3-oxazole
CID 7537479
5-(Chloromethyl)-2,4-dimethyl-1,3-oxazole
CID 11564492
4-(Bromomethyl)-2,5-dimethyloxazole
CID 121552302
4,5-Dimethyl-2-(trifluoromethyl)oxazole
CID 14639803
2,4-Dimethyl-5-trifluoromethyloxazole
CID 60019988
5-(Chloromethyl)-4-methyl-2-propyl-1,3-oxazole
CID 119031678
5-(Chloromethyl)-2-ethyl-4-methyl-1,3-oxazole
CID 119031680
5-(Chloromethyl)-4-methyl-2-(propan-2-yl)-1,3-oxazole
CID 119031683

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole (CID 15176125) is 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole is Cc1nc(CCl)oc1C.
What is the InChIKey of 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole?
The InChIKey is GSPWHVKFXFSWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-4-5(2)9-6(3-7)8-4/h3H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole?
2-(chloromethyl)-4,5-dimethyl-1,3-oxazole has a molecular weight of 145.59 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 15176125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).