4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride

C8H13ClN2O — CID 154574673

IUPAC4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride
SMILESCl.c1nc([C@H]2CCCCN2)co1
InChIInChI=1S/C8H12N2O.ClH/c1-2-4-9-7(3-1)8-5-11-6-10-8;/h5-7,9H,1-4H2;1H/t7-;/m1./s1
InChIKeyWCOBXARBEDCIFH-OGFXRTJISA-N
MW188.66 g/mol
LogP1.91
Rot. Bonds1

About 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride

4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride (PubChem CID 154574673) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride
PubChem CID154574673
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride
SMILESCl.c1nc([C@H]2CCCCN2)co1
InChIInChI=1S/C8H12N2O.ClH/c1-2-4-9-7(3-1)8-5-11-6-10-8;/h5-7,9H,1-4H2;1H/t7-;/m1./s1
InChIKeyWCOBXARBEDCIFH-OGFXRTJISA-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

2-(1,3-oxazol-4-yl)piperidin-4-one
CID 82414305
3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride
CID 154577410
3-[(2S)-azepan-2-yl]-1,2,4-oxadiazole
CID 97184692
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
3-piperidin-2-yl-1,2-oxazole
CID 57061053
2-(1-methylpyrazol-3-yl)azepane
CID 103729377
4-piperidin-2-yl-1,2-oxazole
CID 82417112
3-methoxy-6-piperidin-2-yl-1,2,4-triazine
CID 130118096
3-piperidin-2-ylisoquinoline
CID 84782420
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113
6-piperidin-2-yl-1,2,4-triazine
CID 130118092
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride?
The IUPAC name of 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride (CID 154574673) is 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride is Cl.c1nc([C@H]2CCCCN2)co1.
What is the InChIKey of 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride?
The InChIKey is WCOBXARBEDCIFH-OGFXRTJISA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-2-4-9-7(3-1)8-5-11-6-10-8;/h5-7,9H,1-4H2;1H/t7-;/m1./s1.
What are the key properties of 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride?
4-[(2R)-piperidin-2-yl]-1,3-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 4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 154574673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).