1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone

C9H11ClN2O2 — CID 130857119

IUPAC1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2cc(CCl)on2)C1
InChIInChI=1S/C9H11ClN2O2/c1-6(13)12-4-7(5-12)9-2-8(3-10)14-11-9/h2,7H,3-5H2,1H3
InChIKeyUHVLJCZSPOHLAO-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.36
Rot. Bonds2

About 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone

1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone (PubChem CID 130857119) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone
PubChem CID130857119
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2cc(CCl)on2)C1
InChIInChI=1S/C9H11ClN2O2/c1-6(13)12-4-7(5-12)9-2-8(3-10)14-11-9/h2,7H,3-5H2,1H3
InChIKeyUHVLJCZSPOHLAO-UHFFFAOYSA-N
XLogP1.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.36
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 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone (CID 130857119) is 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone is CC(=O)N1CC(c2cc(CCl)on2)C1.
What is the InChIKey of 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone?
The InChIKey is UHVLJCZSPOHLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(13)12-4-7(5-12)9-2-8(3-10)14-11-9/h2,7H,3-5H2,1H3.
What are the key properties of 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone?
1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone has a molecular weight of 214.65 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 130857119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).