5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride

C9H13ClN2O — CID 86686045

IUPAC5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride
SMILESCc1cnc(C2=CCNCC2)o1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-7-6-11-9(12-7)8-2-4-10-5-3-8;/h2,6,10H,3-5H2,1H3;1H
InChIKeyXKJUVROKPQBNPR-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.78
Rot. Bonds1

About 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride

5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride (PubChem CID 86686045) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride
PubChem CID86686045
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride
SMILESCc1cnc(C2=CCNCC2)o1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-7-6-11-9(12-7)8-2-4-10-5-3-8;/h2,6,10H,3-5H2,1H3;1H
InChIKeyXKJUVROKPQBNPR-UHFFFAOYSA-N
XLogP1.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride?
The IUPAC name of 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride (CID 86686045) is 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride.
What is the SMILES notation for 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride?
The canonical SMILES for 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride is Cc1cnc(C2=CCNCC2)o1.Cl.
What is the InChIKey of 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride?
The InChIKey is XKJUVROKPQBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-7-6-11-9(12-7)8-2-4-10-5-3-8;/h2,6,10H,3-5H2,1H3;1H.
What are the key properties of 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride?
5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole;hydrochloride is sourced from PubChem (CID 86686045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).