5-(chloromethyl)-4-methyl-1,2-oxazole

C5H6ClNO — CID 57419855

IUPAC5-(chloromethyl)-4-methyl-1,2-oxazole
SMILESCc1cnoc1CCl
InChIInChI=1S/C5H6ClNO/c1-4-3-7-8-5(4)2-6/h3H,2H2,1H3
InChIKeyINHHSPGBYNBLGX-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.72
Rot. Bonds1

About 5-(chloromethyl)-4-methyl-1,2-oxazole

5-(chloromethyl)-4-methyl-1,2-oxazole (PubChem CID 57419855) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-1,2-oxazole
PubChem CID57419855
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name5-(chloromethyl)-4-methyl-1,2-oxazole
SMILESCc1cnoc1CCl
InChIInChI=1S/C5H6ClNO/c1-4-3-7-8-5(4)2-6/h3H,2H2,1H3
InChIKeyINHHSPGBYNBLGX-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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Related Compounds

4,5-Dimethylisoxazole
CID 81512
5-Methyl-1,2-oxazole-4-carbonyl chloride
CID 2759917
4-(Chloromethyl)-5-methyl-1,2-oxazole
CID 13849756
5-(Chloromethyl)isoxazole
CID 3858013
4-Chloro-5-methylisoxazole
CID 12448478
4-Methyl-5-(trifluoromethyl)isoxazole
CID 45099011
5-Methyl-4-(trifluoromethyl)-1,2-oxazole
CID 68374670
5-(Dichloromethyl)-1,2-oxazole
CID 10261267
InChI=1/C5H4Cl3NO/c1-3-2-9-10-4(3)5(6,7)8/h2H,1H
CID 5324213
4-Isoxazolecarbonyl chloride, 5-(chloromethyl)-
CID 19439733
4-(2-Chloroethyl)-5-methylisoxazole
CID 20550111
4-Methylisoxazole-5-carbonyl chloride
CID 22646745

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-4-methyl-1,2-oxazole (CID 57419855) is 5-(chloromethyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-4-methyl-1,2-oxazole is Cc1cnoc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-1,2-oxazole?
The InChIKey is INHHSPGBYNBLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c1-4-3-7-8-5(4)2-6/h3H,2H2,1H3.
What are the key properties of 5-(chloromethyl)-4-methyl-1,2-oxazole?
5-(chloromethyl)-4-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 5-(chloromethyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 57419855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).