2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole

C12H18N2OS — CID 115042771

IUPAC2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole
SMILESc1oc(C2CCNCC2)nc1C1CCCS1
InChIInChI=1S/C12H18N2OS/c1-2-11(16-7-1)10-8-15-12(14-10)9-3-5-13-6-4-9/h8-9,11,13H,1-7H2
InChIKeyXLSBNGHOKRKTDE-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.71
Rot. Bonds2

About 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole

2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole (PubChem CID 115042771) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole
PubChem CID115042771
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole
SMILESc1oc(C2CCNCC2)nc1C1CCCS1
InChIInChI=1S/C12H18N2OS/c1-2-11(16-7-1)10-8-15-12(14-10)9-3-5-13-6-4-9/h8-9,11,13H,1-7H2
InChIKeyXLSBNGHOKRKTDE-UHFFFAOYSA-N
XLogP2.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole?
The IUPAC name of 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole (CID 115042771) is 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole is c1oc(C2CCNCC2)nc1C1CCCS1.
What is the InChIKey of 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole?
The InChIKey is XLSBNGHOKRKTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-11(16-7-1)10-8-15-12(14-10)9-3-5-13-6-4-9/h8-9,11,13H,1-7H2.
What are the key properties of 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole?
2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole has a molecular weight of 238.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole is sourced from PubChem (CID 115042771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).