2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole

C10H15ClN2O — CID 107175983

IUPAC2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole
SMILESCC1(C)CCCC1c1nnc(CCl)o1
InChIInChI=1S/C10H15ClN2O/c1-10(2)5-3-4-7(10)9-13-12-8(6-11)14-9/h7H,3-6H2,1-2H3
InChIKeyMYHZZBLFWPGVBE-UHFFFAOYSA-N
MW214.70 g/mol
LogP3.10
Rot. Bonds2

About 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole (PubChem CID 107175983) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole
PubChem CID107175983
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole
SMILESCC1(C)CCCC1c1nnc(CCl)o1
InChIInChI=1S/C10H15ClN2O/c1-10(2)5-3-4-7(10)9-13-12-8(6-11)14-9/h7H,3-6H2,1-2H3
InChIKeyMYHZZBLFWPGVBE-UHFFFAOYSA-N
XLogP3.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 107183220
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole
CID 107185054
2-(chloromethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957613
2-(4-butylcyclohexyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43164921
5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
CID 131000627
2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107183813
2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole
CID 103162193
2-(chloromethyl)-5-(2-methylthiolan-2-yl)-1,3,4-oxadiazole
CID 81452666
2-(chloromethyl)-5-(2,2-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazole
CID 106957694
4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
CID 66678117
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 107003049

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole (CID 107175983) is 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole is CC1(C)CCCC1c1nnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole?
The InChIKey is MYHZZBLFWPGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-10(2)5-3-4-7(10)9-13-12-8(6-11)14-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole has a molecular weight of 214.70 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole is sourced from PubChem (CID 107175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).