5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole

C9H10ClN3O — CID 19623214

IUPAC5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole
SMILESCc1cc(-c2cc(CCl)on2)nn1C
InChIInChI=1S/C9H10ClN3O/c1-6-3-8(11-13(6)2)9-4-7(5-10)14-12-9/h3-4H,5H2,1-2H3
InChIKeyZQSZSTYCPSWMFI-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.12
Rot. Bonds2

About 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole

5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole (PubChem CID 19623214) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole
PubChem CID19623214
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole
SMILESCc1cc(-c2cc(CCl)on2)nn1C
InChIInChI=1S/C9H10ClN3O/c1-6-3-8(11-13(6)2)9-4-7(5-10)14-12-9/h3-4H,5H2,1-2H3
InChIKeyZQSZSTYCPSWMFI-UHFFFAOYSA-N
XLogP2.12
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.12
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 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole (CID 19623214) is 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole is Cc1cc(-c2cc(CCl)on2)nn1C.
What is the InChIKey of 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole?
The InChIKey is ZQSZSTYCPSWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-6-3-8(11-13(6)2)9-4-7(5-10)14-12-9/h3-4H,5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole?
5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole has a molecular weight of 211.65 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(1,5-dimethylpyrazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 19623214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).