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

C5H5Cl2NO — CID 45099317

IUPAC5-(dichloromethyl)-4-methyl-1,2-oxazole
SMILESCc1cnoc1C(Cl)Cl
InChIInChI=1S/C5H5Cl2NO/c1-3-2-8-9-4(3)5(6)7/h2,5H,1H3
InChIKeyOFXZZVTWDNVZER-UHFFFAOYSA-N
MW166.01 g/mol
LogP2.46
Rot. Bonds1

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

5-(dichloromethyl)-4-methyl-1,2-oxazole (PubChem CID 45099317) has the molecular formula C5H5Cl2NO and a molecular weight of 166.01 g/mol. Its IUPAC name is 5-(dichloromethyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(dichloromethyl)-4-methyl-1,2-oxazole
PubChem CID45099317
Molecular FormulaC5H5Cl2NO
Molecular Weight166.01 g/mol
Exact Mass164.97
IUPAC Name5-(dichloromethyl)-4-methyl-1,2-oxazole
SMILESCc1cnoc1C(Cl)Cl
InChIInChI=1S/C5H5Cl2NO/c1-3-2-8-9-4(3)5(6)7/h2,5H,1H3
InChIKeyOFXZZVTWDNVZER-UHFFFAOYSA-N
XLogP2.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.01
LogP ≤ 52.46
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 5-(dichloromethyl)-4-methyl-1,2-oxazole?
The IUPAC name of 5-(dichloromethyl)-4-methyl-1,2-oxazole (CID 45099317) is 5-(dichloromethyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 5-(dichloromethyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 5-(dichloromethyl)-4-methyl-1,2-oxazole is Cc1cnoc1C(Cl)Cl.
What is the InChIKey of 5-(dichloromethyl)-4-methyl-1,2-oxazole?
The InChIKey is OFXZZVTWDNVZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NO/c1-3-2-8-9-4(3)5(6)7/h2,5H,1H3.
What are the key properties of 5-(dichloromethyl)-4-methyl-1,2-oxazole?
5-(dichloromethyl)-4-methyl-1,2-oxazole has a molecular weight of 166.01 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dichloromethyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 45099317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).