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

C5H7Cl2NO — CID 155970483

IUPAC5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride
SMILESCc1ncc(CCl)o1.Cl
InChIInChI=1S/C5H6ClNO.ClH/c1-4-7-3-5(2-6)8-4;/h3H,2H2,1H3;1H
InChIKeyGQWQKZNIHGGOSH-UHFFFAOYSA-N
MW168.02 g/mol
LogP2.14
Rot. Bonds1

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

5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride (PubChem CID 155970483) has the molecular formula C5H7Cl2NO and a molecular weight of 168.02 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride
PubChem CID155970483
Molecular FormulaC5H7Cl2NO
Molecular Weight168.02 g/mol
Exact Mass166.99
IUPAC Name5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride
SMILESCc1ncc(CCl)o1.Cl
InChIInChI=1S/C5H6ClNO.ClH/c1-4-7-3-5(2-6)8-4;/h3H,2H2,1H3;1H
InChIKeyGQWQKZNIHGGOSH-UHFFFAOYSA-N
XLogP2.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.02
LogP ≤ 52.14
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

2,5-Dimethyloxazole
CID 89961
2-Ethyl-5-methyloxazole
CID 528403
5-Methyl-2-propyloxazole
CID 529034
5-(Chloromethyl)-1,3-oxazole
CID 15290880
5-tert-Butyl-2-(chloromethyl)-1,3-oxazole
CID 12968974
5-(Chloromethyl)-2-methyl-1,3-oxazole
CID 22052874
2-(Chloromethyl)-5-methyl-1,3-oxazole
CID 22081016
2-(Chloromethyl)-5-(propan-2-yl)-1,3-oxazole
CID 54593132
2-(Chloromethyl)-5-ethyl-1,3-oxazole
CID 54595701
5-(Chloromethyl)-2-ethyl-1,3-oxazole
CID 67257833
5-Chloromethyl-2-isopropyloxazole
CID 67358147
2-Ethynyl-5-methyloxazole
CID 89053239

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride (CID 155970483) is 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride is Cc1ncc(CCl)o1.Cl.
What is the InChIKey of 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride?
The InChIKey is GQWQKZNIHGGOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO.ClH/c1-4-7-3-5(2-6)8-4;/h3H,2H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride?
5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride has a molecular weight of 168.02 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-1,3-oxazole;hydrochloride is sourced from PubChem (CID 155970483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).