5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride

C8H14ClN3O2 — CID 86775507

IUPAC5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCO[C@H]1CN[C@@H](c2nc(C)no2)C1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-5-10-8(13-11-5)7-3-6(12-2)4-9-7;/h6-7,9H,3-4H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyQAPVWSVGUWCSFM-ZJLYAJKPSA-N
MW219.67 g/mol
LogP0.85
Rot. Bonds2

About 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride

5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 86775507) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
PubChem CID86775507
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Name5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCO[C@H]1CN[C@@H](c2nc(C)no2)C1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-5-10-8(13-11-5)7-3-6(12-2)4-9-7;/h6-7,9H,3-4H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyQAPVWSVGUWCSFM-ZJLYAJKPSA-N
XLogP0.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R,4S)-4-ethoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 130608452
5-(4-methoxypyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82008218
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631759
5-(4-methoxypyrrolidin-2-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529362
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103467010
ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631467
5-(4-methoxypyrrolidin-2-yl)-3-(3-methylcyclopentyl)-1,2,4-oxadiazole
CID 65401220
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 154735478
5-(4-methoxypyrrolidin-2-yl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134664
3-(1-methoxycyclohexyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467146
5-(4-methoxypyrrolidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876959

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride (CID 86775507) is 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride is CO[C@H]1CN[C@@H](c2nc(C)no2)C1.Cl.
What is the InChIKey of 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QAPVWSVGUWCSFM-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-5-10-8(13-11-5)7-3-6(12-2)4-9-7;/h6-7,9H,3-4H2,1-2H3;1H/t6-,7-;/m1./s1.
What are the key properties of 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride?
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 86775507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).