5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole

C11H14ClNO — CID 164654906

IUPAC5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole
SMILESClCc1ncc(C2CCCC3CC32)o1
InChIInChI=1S/C11H14ClNO/c12-5-11-13-6-10(14-11)8-3-1-2-7-4-9(7)8/h6-9H,1-5H2
InChIKeyMZAIUXQZPVJHBE-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.32
Rot. Bonds2

About 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole

5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole (PubChem CID 164654906) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole
PubChem CID164654906
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole
SMILESClCc1ncc(C2CCCC3CC32)o1
InChIInChI=1S/C11H14ClNO/c12-5-11-13-6-10(14-11)8-3-1-2-7-4-9(7)8/h6-9H,1-5H2
InChIKeyMZAIUXQZPVJHBE-UHFFFAOYSA-N
XLogP3.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-spiro[3.3]heptan-2-yl-1,3-oxazole
CID 164660297
5-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65179762
2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
CID 114459222
N-[[5-(2-methylcyclopentyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 107185095
2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole
CID 164660300
2-(3-chloropropyl)-5-(2-methyloxolan-3-yl)-1,3-oxazole
CID 79763287
2-methyl-N-[2-[5-(2-methylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107185156
[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol
CID 115016406
2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole
CID 65180294
5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole
CID 19432892
3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65187342
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole?
The IUPAC name of 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole (CID 164654906) is 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole is ClCc1ncc(C2CCCC3CC32)o1.
What is the InChIKey of 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole?
The InChIKey is MZAIUXQZPVJHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-5-11-13-6-10(14-11)8-3-1-2-7-4-9(7)8/h6-9H,1-5H2.
What are the key properties of 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole?
5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole has a molecular weight of 211.69 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[4.1.0]heptanyl)-2-(chloromethyl)-1,3-oxazole is sourced from PubChem (CID 164654906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).