trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol

C9H15N3O2 — CID 106399719

IUPACtrans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCc1ncno1
InChIInChI=1S/C9H15N3O2/c13-8-3-1-2-7(8)10-5-4-9-11-6-12-14-9/h6-8,10,13H,1-5H2/t7-,8-/m0/s1
InChIKeyRHIRDGWLCLOOIH-YUMQZZPRSA-N
MW197.24 g/mol
LogP0.12
Rot. Bonds4

About trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol (PubChem CID 106399719) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
PubChem CID106399719
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nametrans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCc1ncno1
InChIInChI=1S/C9H15N3O2/c13-8-3-1-2-7(8)10-5-4-9-11-6-12-14-9/h6-8,10,13H,1-5H2/t7-,8-/m0/s1
InChIKeyRHIRDGWLCLOOIH-YUMQZZPRSA-N
XLogP0.12
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclohexan-1-ol
CID 106400144
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine
CID 106394778
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine
CID 106394531
trans-(1R,2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106416752
5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 114183211
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395713
trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
CID 93317378
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxan-4-amine
CID 106395238
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol (CID 106399719) is trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NCCc1ncno1.
What is the InChIKey of trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol?
The InChIKey is RHIRDGWLCLOOIH-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-8-3-1-2-7(8)10-5-4-9-11-6-12-14-9/h6-8,10,13H,1-5H2/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol has a molecular weight of 197.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 106399719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).