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

C7H8ClNO — CID 25220789

IUPAC3-(chloromethyl)-5-cyclopropyl-1,2-oxazole
SMILESClCc1cc(C2CC2)on1
InChIInChI=1S/C7H8ClNO/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2,4H2
InChIKeyOISWOVQSPFYQKZ-UHFFFAOYSA-N
MW157.60 g/mol
LogP2.29
Rot. Bonds2

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

3-(chloromethyl)-5-cyclopropyl-1,2-oxazole (PubChem CID 25220789) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-cyclopropyl-1,2-oxazole
PubChem CID25220789
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name3-(chloromethyl)-5-cyclopropyl-1,2-oxazole
SMILESClCc1cc(C2CC2)on1
InChIInChI=1S/C7H8ClNO/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2,4H2
InChIKeyOISWOVQSPFYQKZ-UHFFFAOYSA-N
XLogP2.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole (CID 25220789) is 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole is ClCc1cc(C2CC2)on1.
What is the InChIKey of 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole?
The InChIKey is OISWOVQSPFYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2,4H2.
What are the key properties of 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole?
3-(chloromethyl)-5-cyclopropyl-1,2-oxazole has a molecular weight of 157.60 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 25220789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).