1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol

C15H18N2O2 — CID 63349809

IUPAC1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C15H18N2O2/c1-11(18)13-16-14(17-19-13)15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3
InChIKeyMMLSAORGHOVVRK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.98
Rot. Bonds3

About 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol

1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63349809) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63349809
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C15H18N2O2/c1-11(18)13-16-14(17-19-13)15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3
InChIKeyMMLSAORGHOVVRK-UHFFFAOYSA-N
XLogP2.98
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
(1R)-1-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915277
(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836886
2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66166712
(2R)-2-amino-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915702
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565318
(1S)-3-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836883
2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81066810
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63079908
(1S,2S)-2-methyl-1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900094

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63349809) is 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(C2(c3ccccc3)CCCC2)no1.
What is the InChIKey of 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is MMLSAORGHOVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)13-16-14(17-19-13)15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3.
What are the key properties of 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63349809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).