2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole

C12H19BrN2O — CID 114771380

IUPAC2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole
SMILESCC(C)(C)C1CCC(c2nnc(Br)o2)CC1
InChIInChI=1S/C12H19BrN2O/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h8-9H,4-7H2,1-3H3
InChIKeyPIKDADKOBWCODL-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.15
Rot. Bonds1

About 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole

2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole (PubChem CID 114771380) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole
PubChem CID114771380
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole
SMILESCC(C)(C)C1CCC(c2nnc(Br)o2)CC1
InChIInChI=1S/C12H19BrN2O/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h8-9H,4-7H2,1-3H3
InChIKeyPIKDADKOBWCODL-UHFFFAOYSA-N
XLogP4.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
CID 114771405
2-Cyclohexyl-5-ethyl-1,3,4-oxadiazole
CID 4204011
2-Tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
CID 58074393
2-Methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole
CID 59462404
2-Tert-butyl-5-cyclohexyl-1,3,4-oxadiazole
CID 67208478
2-Methyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
CID 69617713
2-Ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole
CID 70849887
2-Tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole
CID 70849920
2-Methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole
CID 71066963
2-Bromo-5-cyclohexyl-1,3,4-oxadiazole
CID 82289032
2-(4-Ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole
CID 89033131
2-Methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole
CID 89470017

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole (CID 114771380) is 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole is CC(C)(C)C1CCC(c2nnc(Br)o2)CC1.
What is the InChIKey of 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole?
The InChIKey is PIKDADKOBWCODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole?
2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole has a molecular weight of 287.20 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).