2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

C15H18N2O2 — CID 63349231

IUPAC2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESOC1CCCC1c1nc(CCc2ccccc2)no1
InChIInChI=1S/C15H18N2O2/c18-13-8-4-7-12(13)15-16-14(17-19-15)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2
InChIKeyRJNXOBJASSANCT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds4

About 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 63349231) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID63349231
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESOC1CCCC1c1nc(CCc2ccccc2)no1
InChIInChI=1S/C15H18N2O2/c18-13-8-4-7-12(13)15-16-14(17-19-15)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2
InChIKeyRJNXOBJASSANCT-UHFFFAOYSA-N
XLogP2.48
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345076
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 79085278
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63345954
N-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200492
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349124
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 65129782
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 66065535
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66086839
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
[6-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]naphthalen-2-yl]-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 177345083
tert-butyl (2S)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 166545251

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 63349231) is 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is OC1CCCC1c1nc(CCc2ccccc2)no1.
What is the InChIKey of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is RJNXOBJASSANCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-13-8-4-7-12(13)15-16-14(17-19-15)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2.
What are the key properties of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 63349231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).