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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Related Compounds

[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110008771
2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol
CID 110932618
5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 95780160
2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
CID 155986420
2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124953619
[1-[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol
CID 45252929
3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 138057970
2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole
CID 110269356
3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 45233883
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride
CID 119927525
3-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 17440714

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).