6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole

C13H16N2OS — CID 28815163

IUPAC6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole
SMILESCc1ccc2nc(SC3CCNCC3)oc2c1
InChIInChI=1S/C13H16N2OS/c1-9-2-3-11-12(8-9)16-13(15-11)17-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyRGJGBTARFYOQCC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.98
Rot. Bonds2

About 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole

6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole (PubChem CID 28815163) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole
PubChem CID28815163
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole
SMILESCc1ccc2nc(SC3CCNCC3)oc2c1
InChIInChI=1S/C13H16N2OS/c1-9-2-3-11-12(8-9)16-13(15-11)17-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyRGJGBTARFYOQCC-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole (CID 28815163) is 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole is Cc1ccc2nc(SC3CCNCC3)oc2c1.
What is the InChIKey of 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole?
The InChIKey is RGJGBTARFYOQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-2-3-11-12(8-9)16-13(15-11)17-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3.
What are the key properties of 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole?
6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole has a molecular weight of 248.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-4-ylsulfanyl-1,3-benzoxazole is sourced from PubChem (CID 28815163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).