4-(chloromethyl)-5-cyclobutyl-1,3-oxazole

C8H10ClNO — CID 79153117

IUPAC4-(chloromethyl)-5-cyclobutyl-1,3-oxazole
SMILESClCc1ncoc1C1CCC1
InChIInChI=1S/C8H10ClNO/c9-4-7-8(11-5-10-7)6-2-1-3-6/h5-6H,1-4H2
InChIKeyKFBGTKDDWAKEAW-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.68
Rot. Bonds2

About 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole

4-(chloromethyl)-5-cyclobutyl-1,3-oxazole (PubChem CID 79153117) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-cyclobutyl-1,3-oxazole
PubChem CID79153117
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-(chloromethyl)-5-cyclobutyl-1,3-oxazole
SMILESClCc1ncoc1C1CCC1
InChIInChI=1S/C8H10ClNO/c9-4-7-8(11-5-10-7)6-2-1-3-6/h5-6H,1-4H2
InChIKeyKFBGTKDDWAKEAW-UHFFFAOYSA-N
XLogP2.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.68
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 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole (CID 79153117) is 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole is ClCc1ncoc1C1CCC1.
What is the InChIKey of 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole?
The InChIKey is KFBGTKDDWAKEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-4-7-8(11-5-10-7)6-2-1-3-6/h5-6H,1-4H2.
What are the key properties of 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole?
4-(chloromethyl)-5-cyclobutyl-1,3-oxazole has a molecular weight of 171.63 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-cyclobutyl-1,3-oxazole is sourced from PubChem (CID 79153117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).