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

C17H21BrN2O — CID 3095342

IUPAC3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C17H21BrN2O/c1-2-3-12-4-6-14(7-5-12)17-19-16(20-21-17)13-8-10-15(18)11-9-13/h8-12,14H,2-7H2,1H3
InChIKeyFBVRSYOEIPRYBU-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.57
Rot. Bonds4

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

3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 3095342) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
PubChem CID3095342
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C17H21BrN2O/c1-2-3-12-4-6-14(7-5-12)17-19-16(20-21-17)13-8-10-15(18)11-9-13/h8-12,14H,2-7H2,1H3
InChIKeyFBVRSYOEIPRYBU-UHFFFAOYSA-N
XLogP5.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
CID 3100638
3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 20967059
5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
5-(4-bromophenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
CID 3100648
1-[4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 42760259
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-tert-butylpiperidine-1-carboxamide
CID 42760759
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
7-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-pentyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 75118779
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
1-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 3483132

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole (CID 3095342) is 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole is CCCC1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1.
What is the InChIKey of 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is FBVRSYOEIPRYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-2-3-12-4-6-14(7-5-12)17-19-16(20-21-17)13-8-10-15(18)11-9-13/h8-12,14H,2-7H2,1H3.
What are the key properties of 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 349.27 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3095342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).