4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole

C11H14ClN3O — CID 65239522

IUPAC4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCCn1nc(C)c(-c2oncc2CCl)c1C
InChIInChI=1S/C11H14ClN3O/c1-4-15-8(3)10(7(2)14-15)11-9(5-12)6-13-16-11/h6H,4-5H2,1-3H3
InChIKeyWSWLMTLNTPFYJX-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.91
Rot. Bonds3

About 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole

4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole (PubChem CID 65239522) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole
PubChem CID65239522
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCCn1nc(C)c(-c2oncc2CCl)c1C
InChIInChI=1S/C11H14ClN3O/c1-4-15-8(3)10(7(2)14-15)11-9(5-12)6-13-16-11/h6H,4-5H2,1-3H3
InChIKeyWSWLMTLNTPFYJX-UHFFFAOYSA-N
XLogP2.91
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.91
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 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole (CID 65239522) is 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole is CCn1nc(C)c(-c2oncc2CCl)c1C.
What is the InChIKey of 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is WSWLMTLNTPFYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-4-15-8(3)10(7(2)14-15)11-9(5-12)6-13-16-11/h6H,4-5H2,1-3H3.
What are the key properties of 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole?
4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 239.71 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 65239522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).