4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol

C9H14N2O2S — CID 106924555

IUPAC4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol
SMILESOC1(CSc2ncco2)CCNCC1
InChIInChI=1S/C9H14N2O2S/c12-9(1-3-10-4-2-9)7-14-8-11-5-6-13-8/h5-6,10,12H,1-4,7H2
InChIKeyBPECIKKFQQLWNU-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.88
Rot. Bonds3

About 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol

4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol (PubChem CID 106924555) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol
PubChem CID106924555
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol
SMILESOC1(CSc2ncco2)CCNCC1
InChIInChI=1S/C9H14N2O2S/c12-9(1-3-10-4-2-9)7-14-8-11-5-6-13-8/h5-6,10,12H,1-4,7H2
InChIKeyBPECIKKFQQLWNU-UHFFFAOYSA-N
XLogP0.88
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol (CID 106924555) is 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol is OC1(CSc2ncco2)CCNCC1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol?
The InChIKey is BPECIKKFQQLWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-9(1-3-10-4-2-9)7-14-8-11-5-6-13-8/h5-6,10,12H,1-4,7H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol?
4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol has a molecular weight of 214.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol is sourced from PubChem (CID 106924555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).