2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol

C13H23N3O2 — CID 133496458

IUPAC2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol
SMILESCC(C)(C)c1nc(NC2CCCC2CCO)no1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)11-15-12(16-18-11)14-10-6-4-5-9(10)7-8-17/h9-10,17H,4-8H2,1-3H3,(H,14,16)
InChIKeyYYSUHKCCFDFMHT-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.33
Rot. Bonds4

About 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol

2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol (PubChem CID 133496458) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol
PubChem CID133496458
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol
SMILESCC(C)(C)c1nc(NC2CCCC2CCO)no1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)11-15-12(16-18-11)14-10-6-4-5-9(10)7-8-17/h9-10,17H,4-8H2,1-3H3,(H,14,16)
InChIKeyYYSUHKCCFDFMHT-UHFFFAOYSA-N
XLogP2.33
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]ethanol
CID 133496350
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol
CID 133496440
2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol
CID 133496128
2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol
CID 99826080
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine
CID 111815848
3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467458
2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
CID 100666033
2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol
CID 133496116
[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol
CID 138020158
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol
CID 133496229
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
CID 106361779
[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 106368088

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol (CID 133496458) is 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol is CC(C)(C)c1nc(NC2CCCC2CCO)no1.
What is the InChIKey of 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol?
The InChIKey is YYSUHKCCFDFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,3)11-15-12(16-18-11)14-10-6-4-5-9(10)7-8-17/h9-10,17H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol?
2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol has a molecular weight of 253.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).