2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole

C8H12ClNO3S — CID 65179577

IUPAC2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole
SMILESCC(C)(c1cnc(CCl)o1)S(C)(=O)=O
InChIInChI=1S/C8H12ClNO3S/c1-8(2,14(3,11)12)6-5-10-7(4-9)13-6/h5H,4H2,1-3H3
InChIKeyVOFYJAJVOVBWFY-UHFFFAOYSA-N
MW237.71 g/mol
LogP1.69
Rot. Bonds3

About 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole

2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole (PubChem CID 65179577) has the molecular formula C8H12ClNO3S and a molecular weight of 237.71 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole
PubChem CID65179577
Molecular FormulaC8H12ClNO3S
Molecular Weight237.71 g/mol
Exact Mass237.02
IUPAC Name2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole
SMILESCC(C)(c1cnc(CCl)o1)S(C)(=O)=O
InChIInChI=1S/C8H12ClNO3S/c1-8(2,14(3,11)12)6-5-10-7(4-9)13-6/h5H,4H2,1-3H3
InChIKeyVOFYJAJVOVBWFY-UHFFFAOYSA-N
XLogP1.69
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole (CID 65179577) is 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole is CC(C)(c1cnc(CCl)o1)S(C)(=O)=O.
What is the InChIKey of 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole?
The InChIKey is VOFYJAJVOVBWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3S/c1-8(2,14(3,11)12)6-5-10-7(4-9)13-6/h5H,4H2,1-3H3.
What are the key properties of 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole?
2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole has a molecular weight of 237.71 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole is sourced from PubChem (CID 65179577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).