2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol

C17H22N2O2 — CID 65425762

IUPAC2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
SMILESOC(Cc1nc(C2CCCCCC2)no1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c20-15(13-8-6-3-7-9-13)12-16-18-17(19-21-16)14-10-4-1-2-5-11-14/h3,6-9,14-15,20H,1-2,4-5,10-12H2
InChIKeyIAXBOTLNYCCWHM-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.78
Rot. Bonds4

About 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol (PubChem CID 65425762) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
PubChem CID65425762
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
SMILESOC(Cc1nc(C2CCCCCC2)no1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c20-15(13-8-6-3-7-9-13)12-16-18-17(19-21-16)14-10-4-1-2-5-11-14/h3,6-9,14-15,20H,1-2,4-5,10-12H2
InChIKeyIAXBOTLNYCCWHM-UHFFFAOYSA-N
XLogP3.78
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea
CID 100611253
(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol
CID 99778217
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345481
3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 25204685
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 79094042
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508

Frequently Asked Questions

What is the IUPAC name of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol?
The IUPAC name of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol (CID 65425762) is 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol.
What is the SMILES notation for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol?
The canonical SMILES for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol is OC(Cc1nc(C2CCCCCC2)no1)c1ccccc1.
What is the InChIKey of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol?
The InChIKey is IAXBOTLNYCCWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-15(13-8-6-3-7-9-13)12-16-18-17(19-21-16)14-10-4-1-2-5-11-14/h3,6-9,14-15,20H,1-2,4-5,10-12H2.
What are the key properties of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol?
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol has a molecular weight of 286.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol is sourced from PubChem (CID 65425762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).