4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole

C9H9ClN2O2 — CID 146272852

IUPAC4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
SMILESCc1cc(-c2noc(C)c2CCl)no1
InChIInChI=1S/C9H9ClN2O2/c1-5-3-8(11-13-5)9-7(4-10)6(2)14-12-9/h3H,4H2,1-2H3
InChIKeyMCZNUOCMYZYELX-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.69
Rot. Bonds2

About 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole

4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole (PubChem CID 146272852) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
PubChem CID146272852
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
SMILESCc1cc(-c2noc(C)c2CCl)no1
InChIInChI=1S/C9H9ClN2O2/c1-5-3-8(11-13-5)9-7(4-10)6(2)14-12-9/h3H,4H2,1-2H3
InChIKeyMCZNUOCMYZYELX-UHFFFAOYSA-N
XLogP2.69
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-3-(6-chloropyridazin-3-yl)-5-methyl-1,2-oxazole
CID 146272702
4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 146272646
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole chloride
CID 22500933
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265
4-[[5-(3-methoxyazetidin-1-yl)-3H-pyridazin-2-yl]methyl]-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
CID 146275155
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91819244
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
5-chloro-3-(5-methyl-1,2-oxazol-3-yl)-1-propylpyrazole-4-carbaldehyde
CID 166083367
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole (CID 146272852) is 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole is Cc1cc(-c2noc(C)c2CCl)no1.
What is the InChIKey of 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole?
The InChIKey is MCZNUOCMYZYELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-5-3-8(11-13-5)9-7(4-10)6(2)14-12-9/h3H,4H2,1-2H3.
What are the key properties of 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole?
4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole has a molecular weight of 212.64 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 146272852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).