5-(dichloromethyl)-1,2-oxazole

C4H3Cl2NO — CID 10261267

IUPAC5-(dichloromethyl)-1,2-oxazole
SMILESClC(Cl)c1ccno1
InChIInChI=1S/C4H3Cl2NO/c5-4(6)3-1-2-7-8-3/h1-2,4H
InChIKeyBTWKKUKIKRFJQX-UHFFFAOYSA-N
MW151.98 g/mol
LogP2.15
Rot. Bonds1

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

5-(dichloromethyl)-1,2-oxazole (PubChem CID 10261267) has the molecular formula C4H3Cl2NO and a molecular weight of 151.98 g/mol. Its IUPAC name is 5-(dichloromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(dichloromethyl)-1,2-oxazole
PubChem CID10261267
Molecular FormulaC4H3Cl2NO
Molecular Weight151.98 g/mol
Exact Mass150.96
IUPAC Name5-(dichloromethyl)-1,2-oxazole
SMILESClC(Cl)c1ccno1
InChIInChI=1S/C4H3Cl2NO/c5-4(6)3-1-2-7-8-3/h1-2,4H
InChIKeyBTWKKUKIKRFJQX-UHFFFAOYSA-N
XLogP2.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.98
LogP ≤ 52.15
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)-1,2-oxazole?
The IUPAC name of 5-(dichloromethyl)-1,2-oxazole (CID 10261267) is 5-(dichloromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(dichloromethyl)-1,2-oxazole?
The canonical SMILES for 5-(dichloromethyl)-1,2-oxazole is ClC(Cl)c1ccno1.
What is the InChIKey of 5-(dichloromethyl)-1,2-oxazole?
The InChIKey is BTWKKUKIKRFJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2NO/c5-4(6)3-1-2-7-8-3/h1-2,4H.
What are the key properties of 5-(dichloromethyl)-1,2-oxazole?
5-(dichloromethyl)-1,2-oxazole has a molecular weight of 151.98 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dichloromethyl)-1,2-oxazole is sourced from PubChem (CID 10261267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).