2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride

C8H11ClN2O — CID 67925064

IUPAC2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride
SMILESC1=C(c2ncco2)CNCC1.Cl
InChIInChI=1S/C8H10N2O.ClH/c1-2-7(6-9-3-1)8-10-4-5-11-8;/h2,4-5,9H,1,3,6H2;1H
InChIKeyPDHOKBGTUNDELA-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.47
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride

2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride (PubChem CID 67925064) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride
PubChem CID67925064
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride
SMILESC1=C(c2ncco2)CNCC1.Cl
InChIInChI=1S/C8H10N2O.ClH/c1-2-7(6-9-3-1)8-10-4-5-11-8;/h2,4-5,9H,1,3,6H2;1H
InChIKeyPDHOKBGTUNDELA-UHFFFAOYSA-N
XLogP1.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole
CID 19018537
Oxazole-maleimide
CID 129809016
5-Methyl-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride
CID 19018536
5-Methoxy-2-(1,2,5,6-tetrahydro-pyridin-3-yl)-oxazole
CID 19612517
2-[(E)-3-methylbut-1-enyl]-1,3-oxazole
CID 21132588
2-(1,2,5,6-Tetrahydropyridin-3-yl)oxazole
CID 45091706
2-Cyclohexa-1,5-dien-1-yl-1,3-oxazole
CID 53416081
1-Methyl-3-(oxazol-2-yl)-1,2,5,6-tetrahydropyridine
CID 54089363
2-(1-hydroxy-3,6-dihydro-2H-pyridin-5-yl)-1,3-oxazole
CID 54520983
2-Pent-2-en-2-yl-1,3-oxazole
CID 57011498
2-(3H-pyridin-1-ium-4-yl)-1,3-oxazole
CID 57025348
2-[(1E)-penta-1,4-dienyl]-1,3-oxazole
CID 57042096

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride (CID 67925064) is 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride is C1=C(c2ncco2)CNCC1.Cl.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride?
The InChIKey is PDHOKBGTUNDELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c1-2-7(6-9-3-1)8-10-4-5-11-8;/h2,4-5,9H,1,3,6H2;1H.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride?
2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;hydrochloride is sourced from PubChem (CID 67925064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).