3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole

C12H15N3OS — CID 166211745

IUPAC3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1csc(C2CCCN(Cc3ccon3)C2)n1
InChIInChI=1S/C12H15N3OS/c1-2-10(12-13-4-7-17-12)8-15(5-1)9-11-3-6-16-14-11/h3-4,6-7,10H,1-2,5,8-9H2
InChIKeyVSYARJUGKHSSPO-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.51
Rot. Bonds3

About 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole

3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 166211745) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID166211745
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1csc(C2CCCN(Cc3ccon3)C2)n1
InChIInChI=1S/C12H15N3OS/c1-2-10(12-13-4-7-17-12)8-15(5-1)9-11-3-6-16-14-11/h3-4,6-7,10H,1-2,5,8-9H2
InChIKeyVSYARJUGKHSSPO-UHFFFAOYSA-N
XLogP2.51
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 166211745) is 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole is c1csc(C2CCCN(Cc3ccon3)C2)n1.
What is the InChIKey of 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is VSYARJUGKHSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-10(12-13-4-7-17-12)8-15(5-1)9-11-3-6-16-14-11/h3-4,6-7,10H,1-2,5,8-9H2.
What are the key properties of 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 249.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 166211745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).