2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol

C15H17BrN2O2 — CID 63346258

IUPAC2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
SMILESOC1CCCCCC1c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C15H17BrN2O2/c16-11-6-4-5-10(9-11)14-17-15(20-18-14)12-7-2-1-3-8-13(12)19/h4-6,9,12-13,19H,1-3,7-8H2
InChIKeyXJSYKIASAAPUFI-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.91
Rot. Bonds2

About 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol

2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol (PubChem CID 63346258) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
PubChem CID63346258
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
SMILESOC1CCCCCC1c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C15H17BrN2O2/c16-11-6-4-5-10(9-11)14-17-15(20-18-14)12-7-2-1-3-8-13(12)19/h4-6,9,12-13,19H,1-3,7-8H2
InChIKeyXJSYKIASAAPUFI-UHFFFAOYSA-N
XLogP3.91
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63345954
3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805674
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 106849964
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119947825
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66254034
2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 103399802
2-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107541022
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348400
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3,4-diol
CID 106672017
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103445445
N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cycloheptan-1-amine
CID 63347847

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
The IUPAC name of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol (CID 63346258) is 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol.
What is the SMILES notation for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
The canonical SMILES for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol is OC1CCCCCC1c1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
The InChIKey is XJSYKIASAAPUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-11-6-4-5-10(9-11)14-17-15(20-18-14)12-7-2-1-3-8-13(12)19/h4-6,9,12-13,19H,1-3,7-8H2.
What are the key properties of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol has a molecular weight of 337.22 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol is sourced from PubChem (CID 63346258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).