2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole

C8H11ClN2O — CID 107186575

IUPAC2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole
SMILESCC1CCCC1c1nnc(Cl)o1
InChIInChI=1S/C8H11ClN2O/c1-5-3-2-4-6(5)7-10-11-8(9)12-7/h5-6H,2-4H2,1H3
InChIKeyZYSKIFFTVHNRLQ-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.63
Rot. Bonds1

About 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole

2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole (PubChem CID 107186575) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole
PubChem CID107186575
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole
SMILESCC1CCCC1c1nnc(Cl)o1
InChIInChI=1S/C8H11ClN2O/c1-5-3-2-4-6(5)7-10-11-8(9)12-7/h5-6H,2-4H2,1H3
InChIKeyZYSKIFFTVHNRLQ-UHFFFAOYSA-N
XLogP2.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole
CID 114770748
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 107183179
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
3-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107183207
2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 130621431
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 107183233
3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107181461
(2-methylcyclopentyl)benzene
CID 12600454
4,6-dichloro-2-(2-methylcyclohexyl)pyrimidine
CID 130805079
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 114241677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole (CID 107186575) is 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole is CC1CCCC1c1nnc(Cl)o1.
What is the InChIKey of 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole?
The InChIKey is ZYSKIFFTVHNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5-3-2-4-6(5)7-10-11-8(9)12-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole?
2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole has a molecular weight of 186.64 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole is sourced from PubChem (CID 107186575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).