3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride

C9H15ClN2O — CID 10375597

IUPAC3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride
SMILESCc1cc([C@@H]2CCCN2C)on1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-7-6-9(12-10-7)8-4-3-5-11(8)2;/h6,8H,3-5H2,1-2H3;1H/t8-;/m0./s1
InChIKeyVOXHERKWAIEJQF-QRPNPIFTSA-N
MW202.69 g/mol
LogP2.17
Rot. Bonds1

About 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride

3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride (PubChem CID 10375597) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride
PubChem CID10375597
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride
SMILESCc1cc([C@@H]2CCCN2C)on1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-7-6-9(12-10-7)8-4-3-5-11(8)2;/h6,8H,3-5H2,1-2H3;1H/t8-;/m0./s1
InChIKeyVOXHERKWAIEJQF-QRPNPIFTSA-N
XLogP2.17
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride?
The IUPAC name of 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride (CID 10375597) is 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride is Cc1cc([C@@H]2CCCN2C)on1.Cl.
What is the InChIKey of 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride?
The InChIKey is VOXHERKWAIEJQF-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14N2O.ClH/c1-7-6-9(12-10-7)8-4-3-5-11(8)2;/h6,8H,3-5H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride?
3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 10375597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).