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

C11H16ClNO2 — CID 65180294

IUPAC2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole
SMILESClCCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C11H16ClNO2/c12-6-3-5-11-13-8-10(15-11)9-4-1-2-7-14-9/h8-9H,1-7H2
InChIKeyNECFGNFNTAICDQ-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.09
Rot. Bonds4

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

2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole (PubChem CID 65180294) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole
PubChem CID65180294
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole
SMILESClCCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C11H16ClNO2/c12-6-3-5-11-13-8-10(15-11)9-4-1-2-7-14-9/h8-9H,1-7H2
InChIKeyNECFGNFNTAICDQ-UHFFFAOYSA-N
XLogP3.09
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.09
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-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole (CID 65180294) is 2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole is ClCCCc1ncc(C2CCCCO2)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole?
The InChIKey is NECFGNFNTAICDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c12-6-3-5-11-13-8-10(15-11)9-4-1-2-7-14-9/h8-9H,1-7H2.
What are the key properties of 2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole?
2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole has a molecular weight of 229.71 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole is sourced from PubChem (CID 65180294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).