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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Related Compounds

1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone
CID 126758640
5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 118543057
1-[5-(chloromethyl)-1,2-oxazol-3-yl]-2-hydroxyethanone
CID 158373932
5-(chloromethyl)-3-(cyclopropylmethyl)-1,2-oxazole
CID 166559907
1-[3-(3-iodo-1-methylpyrazol-5-yl)azetidin-1-yl]ethanone;1-[3-(5-iodo-1-methylpyrazol-3-yl)azetidin-1-yl]ethanone
CID 159106858
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 110229079
1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol
CID 154796344
2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol
CID 124641799
1-[4-[(3R,4R)-4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 98787428
methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
CID 163373999
1-[3-(3-iodo-1-methylpyrazol-5-yl)azetidin-1-yl]ethanone
CID 118620132

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).