3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride

C8H13ClN2O — CID 154577410

IUPAC3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride
SMILESCl.c1cc([C@@H]2CCCCN2)no1
InChIInChI=1S/C8H12N2O.ClH/c1-2-5-9-7(3-1)8-4-6-11-10-8;/h4,6-7,9H,1-3,5H2;1H/t7-;/m0./s1
InChIKeyGKCYBKVRXDKISF-FJXQXJEOSA-N
MW188.66 g/mol
LogP1.91
Rot. Bonds1

About 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride

3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride (PubChem CID 154577410) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride
PubChem CID154577410
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride
SMILESCl.c1cc([C@@H]2CCCCN2)no1
InChIInChI=1S/C8H12N2O.ClH/c1-2-5-9-7(3-1)8-4-6-11-10-8;/h4,6-7,9H,1-3,5H2;1H/t7-;/m0./s1
InChIKeyGKCYBKVRXDKISF-FJXQXJEOSA-N
XLogP1.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-2-yl-1,2-oxazole
CID 57061053
4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride
CID 154574673
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
3-[(2S)-azepan-2-yl]-1,2,4-oxadiazole
CID 97184692
2-[1-(4-fluorophenyl)pyrazol-3-yl]piperidine;hydrochloride
CID 175103280
3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
CID 46785750
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride
CID 138376376
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole
CID 46785780
2-[3-[(2R)-piperidin-2-yl]-1,2-oxazol-5-yl]ethanol
CID 92615014
N-methyl-4-[(2S)-piperidin-2-yl]pyrimidin-2-amine
CID 95827769

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride?
The IUPAC name of 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride (CID 154577410) is 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride is Cl.c1cc([C@@H]2CCCCN2)no1.
What is the InChIKey of 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride?
The InChIKey is GKCYBKVRXDKISF-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-2-5-9-7(3-1)8-4-6-11-10-8;/h4,6-7,9H,1-3,5H2;1H/t7-;/m0./s1.
What are the key properties of 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride?
3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 154577410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).