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

C10H16ClNO3S — CID 65179489

IUPAC2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole
SMILESCC(C)(c1cnc(CCCCl)o1)S(C)(=O)=O
InChIInChI=1S/C10H16ClNO3S/c1-10(2,16(3,13)14)8-7-12-9(15-8)5-4-6-11/h7H,4-6H2,1-3H3
InChIKeyXEVAGTASFFEGTC-UHFFFAOYSA-N
MW265.76 g/mol
LogP2.13
Rot. Bonds5

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

2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole (PubChem CID 65179489) has the molecular formula C10H16ClNO3S and a molecular weight of 265.76 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole
PubChem CID65179489
Molecular FormulaC10H16ClNO3S
Molecular Weight265.76 g/mol
Exact Mass265.05
IUPAC Name2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole
SMILESCC(C)(c1cnc(CCCCl)o1)S(C)(=O)=O
InChIInChI=1S/C10H16ClNO3S/c1-10(2,16(3,13)14)8-7-12-9(15-8)5-4-6-11/h7H,4-6H2,1-3H3
InChIKeyXEVAGTASFFEGTC-UHFFFAOYSA-N
XLogP2.13
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 52.13
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-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole (CID 65179489) is 2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole is CC(C)(c1cnc(CCCCl)o1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole?
The InChIKey is XEVAGTASFFEGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3S/c1-10(2,16(3,13)14)8-7-12-9(15-8)5-4-6-11/h7H,4-6H2,1-3H3.
What are the key properties of 2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole?
2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole has a molecular weight of 265.76 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(2-methylsulfonylpropan-2-yl)-1,3-oxazole is sourced from PubChem (CID 65179489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).