[(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol

C12H21N3O2 — CID 99792094

IUPAC[(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol
SMILESCCc1nnc(CN[C@H]2CCC[C@@]2(C)CO)o1
InChIInChI=1S/C12H21N3O2/c1-3-10-14-15-11(17-10)7-13-9-5-4-6-12(9,2)8-16/h9,13,16H,3-8H2,1-2H3/t9-,12-/m0/s1
InChIKeyABOTXXHEQJLJJA-CABZTGNLSA-N
MW239.32 g/mol
LogP1.27
Rot. Bonds5

About [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol

[(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol (PubChem CID 99792094) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol
PubChem CID99792094
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol
SMILESCCc1nnc(CN[C@H]2CCC[C@@]2(C)CO)o1
InChIInChI=1S/C12H21N3O2/c1-3-10-14-15-11(17-10)7-13-9-5-4-6-12(9,2)8-16/h9,13,16H,3-8H2,1-2H3/t9-,12-/m0/s1
InChIKeyABOTXXHEQJLJJA-CABZTGNLSA-N
XLogP1.27
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol?
The IUPAC name of [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol (CID 99792094) is [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol is CCc1nnc(CN[C@H]2CCC[C@@]2(C)CO)o1.
What is the InChIKey of [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol?
The InChIKey is ABOTXXHEQJLJJA-CABZTGNLSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-10-14-15-11(17-10)7-13-9-5-4-6-12(9,2)8-16/h9,13,16H,3-8H2,1-2H3/t9-,12-/m0/s1.
What are the key properties of [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol?
[(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 99792094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).