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

C9H12ClNO — CID 130952213

IUPAC5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole
SMILESCCc1nc(C2CC2)oc1CCl
InChIInChI=1S/C9H12ClNO/c1-2-7-8(5-10)12-9(11-7)6-3-4-6/h6H,2-5H2,1H3
InChIKeyZNYQXGPXXOCUKF-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.85
Rot. Bonds3

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

5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole (PubChem CID 130952213) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole
PubChem CID130952213
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole
SMILESCCc1nc(C2CC2)oc1CCl
InChIInChI=1S/C9H12ClNO/c1-2-7-8(5-10)12-9(11-7)6-3-4-6/h6H,2-5H2,1H3
InChIKeyZNYQXGPXXOCUKF-UHFFFAOYSA-N
XLogP2.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole (CID 130952213) is 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole is CCc1nc(C2CC2)oc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole?
The InChIKey is ZNYQXGPXXOCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-2-7-8(5-10)12-9(11-7)6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole?
5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole has a molecular weight of 185.65 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole is sourced from PubChem (CID 130952213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).