4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole

C7H8ClNO3 — CID 102607155

IUPAC4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole
SMILESClCc1coc(OC2COC2)n1
InChIInChI=1S/C7H8ClNO3/c8-1-5-2-11-7(9-5)12-6-3-10-4-6/h2,6H,1,3-4H2
InChIKeyOEZUOWQESWNQJI-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.19
Rot. Bonds3

About 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole

4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole (PubChem CID 102607155) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole
PubChem CID102607155
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole
SMILESClCc1coc(OC2COC2)n1
InChIInChI=1S/C7H8ClNO3/c8-1-5-2-11-7(9-5)12-6-3-10-4-6/h2,6H,1,3-4H2
InChIKeyOEZUOWQESWNQJI-UHFFFAOYSA-N
XLogP1.19
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine
CID 107373834
4-(chloromethyl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,3-oxazole
CID 113377544
4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
CID 102607148
4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole
CID 102606214
4-[4-(chloromethyl)-1,3-oxazol-2-yl]piperidine-1-carboxylic acid
CID 123589448
[4-(oxetan-3-yloxy)quinolin-2-yl]methanol
CID 102607123
N-[[2-(oxetan-3-yloxy)-6-propyl-4-pyridinyl]methyl]cyclopropanamine
CID 102607892
[3-(oxetan-3-yloxy)pyridazin-4-yl]methanamine
CID 102605386
2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine
CID 102606246
3-(3,5-dichlorophenoxy)oxetane
CID 130653850
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
2-butan-2-yl-4-(chloromethyl)-1,3-oxazole
CID 15726803

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole (CID 102607155) is 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole is ClCc1coc(OC2COC2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole?
The InChIKey is OEZUOWQESWNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3/c8-1-5-2-11-7(9-5)12-6-3-10-4-6/h2,6H,1,3-4H2.
What are the key properties of 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole?
4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole has a molecular weight of 189.60 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole is sourced from PubChem (CID 102607155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).