2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole

C8H9ClN2O — CID 114770748

IUPAC2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole
SMILESClc1nnc(C2C3CCCC32)o1
InChIInChI=1S/C8H9ClN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2
InChIKeyYAPPHDFMKBBZPA-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.24
Rot. Bonds1

About 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole

2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole (PubChem CID 114770748) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole
PubChem CID114770748
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole
SMILESClc1nnc(C2C3CCCC32)o1
InChIInChI=1S/C8H9ClN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2
InChIKeyYAPPHDFMKBBZPA-UHFFFAOYSA-N
XLogP2.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole
CID 107186575
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
CID 114771019
2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole
CID 107127961
2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole
CID 122234958
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 130863297
dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953604
2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 84670367
[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone
CID 11176237
2-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308659
4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 82486187

Frequently Asked Questions

What is the IUPAC name of 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole?
The IUPAC name of 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole (CID 114770748) is 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole is Clc1nnc(C2C3CCCC32)o1.
What is the InChIKey of 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole?
The InChIKey is YAPPHDFMKBBZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2.
What are the key properties of 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole?
2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole has a molecular weight of 184.63 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bicyclo[3.1.0]hexanyl)-5-chloro-1,3,4-oxadiazole is sourced from PubChem (CID 114770748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).