3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole

C15H18BrN3O2 — CID 136548166

IUPAC3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(C3CN(C4CCCCC4)C3)n2)o1
InChIInChI=1S/C15H18BrN3O2/c16-13-7-6-12(20-13)14-17-15(21-18-14)10-8-19(9-10)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyYMYBULZCSLPCNH-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.82
Rot. Bonds3

About 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole

3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole (PubChem CID 136548166) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
PubChem CID136548166
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(C3CN(C4CCCCC4)C3)n2)o1
InChIInChI=1S/C15H18BrN3O2/c16-13-7-6-12(20-13)14-17-15(21-18-14)10-8-19(9-10)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyYMYBULZCSLPCNH-UHFFFAOYSA-N
XLogP3.82
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
CID 71980978
3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
CID 138052702
3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120842152
5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole
CID 167947473
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 1457530
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752
[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3226314
[(3R)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1457622
5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 91486153
3-(5-bromofuran-2-yl)-5-[(1S)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827655
(4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1457612

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole (CID 136548166) is 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole is Brc1ccc(-c2noc(C3CN(C4CCCCC4)C3)n2)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is YMYBULZCSLPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-13-7-6-12(20-13)14-17-15(21-18-14)10-8-19(9-10)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 352.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136548166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).