3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole

C14H15BrN2O — CID 867106

IUPAC3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(C3CCCCC3)n2)cc1
InChIInChI=1S/C14H15BrN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyHVKDKLNQUZYYAJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.55
Rot. Bonds2

About 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole

3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole (PubChem CID 867106) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole
PubChem CID867106
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(C3CCCCC3)n2)cc1
InChIInChI=1S/C14H15BrN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyHVKDKLNQUZYYAJ-UHFFFAOYSA-N
XLogP4.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole (CID 867106) is 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole is Brc1ccc(-c2noc(C3CCCCC3)n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole?
The InChIKey is HVKDKLNQUZYYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole has a molecular weight of 307.19 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole is sourced from PubChem (CID 867106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).