2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole

C10H14ClNO2 — CID 65180223

IUPAC2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole
SMILESCC(Cl)c1ncc(C2CCOCC2)o1
InChIInChI=1S/C10H14ClNO2/c1-7(11)10-12-6-9(14-10)8-2-4-13-5-3-8/h6-8H,2-5H2,1H3
InChIKeyLGUJBYKBBLGEAN-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.87
Rot. Bonds2

About 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole

2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole (PubChem CID 65180223) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole
PubChem CID65180223
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole
SMILESCC(Cl)c1ncc(C2CCOCC2)o1
InChIInChI=1S/C10H14ClNO2/c1-7(11)10-12-6-9(14-10)8-2-4-13-5-3-8/h6-8H,2-5H2,1H3
InChIKeyLGUJBYKBBLGEAN-UHFFFAOYSA-N
XLogP2.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole (CID 65180223) is 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole is CC(Cl)c1ncc(C2CCOCC2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole?
The InChIKey is LGUJBYKBBLGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7(11)10-12-6-9(14-10)8-2-4-13-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole?
2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole has a molecular weight of 215.68 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole is sourced from PubChem (CID 65180223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).