2-(dichloromethyl)-1,3-oxazole

C4H3Cl2NO — CID 53407610

IUPAC2-(dichloromethyl)-1,3-oxazole
SMILESClC(Cl)c1ncco1
InChIInChI=1S/C4H3Cl2NO/c5-3(6)4-7-1-2-8-4/h1-3H
InChIKeyKZABMPDUXAWBCN-UHFFFAOYSA-N
MW151.98 g/mol
LogP2.15
Rot. Bonds1

About 2-(dichloromethyl)-1,3-oxazole

2-(dichloromethyl)-1,3-oxazole (PubChem CID 53407610) has the molecular formula C4H3Cl2NO and a molecular weight of 151.98 g/mol. Its IUPAC name is 2-(dichloromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(dichloromethyl)-1,3-oxazole
PubChem CID53407610
Molecular FormulaC4H3Cl2NO
Molecular Weight151.98 g/mol
Exact Mass150.96
IUPAC Name2-(dichloromethyl)-1,3-oxazole
SMILESClC(Cl)c1ncco1
InChIInChI=1S/C4H3Cl2NO/c5-3(6)4-7-1-2-8-4/h1-3H
InChIKeyKZABMPDUXAWBCN-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 2-(dichloromethyl)-1,3-oxazole?
The IUPAC name of 2-(dichloromethyl)-1,3-oxazole (CID 53407610) is 2-(dichloromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(dichloromethyl)-1,3-oxazole?
The canonical SMILES for 2-(dichloromethyl)-1,3-oxazole is ClC(Cl)c1ncco1.
What is the InChIKey of 2-(dichloromethyl)-1,3-oxazole?
The InChIKey is KZABMPDUXAWBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2NO/c5-3(6)4-7-1-2-8-4/h1-3H.
What are the key properties of 2-(dichloromethyl)-1,3-oxazole?
2-(dichloromethyl)-1,3-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 2-(dichloromethyl)-1,3-oxazole is sourced from PubChem (CID 53407610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).