2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole

C10H16N2OS — CID 122150934

IUPAC2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole
SMILESc1coc(SCCN2CCCCC2)n1
InChIInChI=1S/C10H16N2OS/c1-2-5-12(6-3-1)7-9-14-10-11-4-8-13-10/h4,8H,1-3,5-7,9H2
InChIKeyMMHQVDKXTPCPAA-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole

2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole (PubChem CID 122150934) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole
PubChem CID122150934
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole
SMILESc1coc(SCCN2CCCCC2)n1
InChIInChI=1S/C10H16N2OS/c1-2-5-12(6-3-1)7-9-14-10-11-4-8-13-10/h4,8H,1-3,5-7,9H2
InChIKeyMMHQVDKXTPCPAA-UHFFFAOYSA-N
XLogP2.25
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]triazole-4-carboxylic acid
CID 106920719
2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-oxazole
CID 106923970
3-(1,3-oxazol-2-ylsulfanyl)propanenitrile
CID 106922507
4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol
CID 106923563
1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923940
1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]piperidine
CID 141130542
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
3-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 864779
[1-(1,3-oxazol-2-ylsulfanylmethyl)cyclopentyl]methanethiol
CID 106928097
1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16811071
2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine
CID 51057856

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole (CID 122150934) is 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole is c1coc(SCCN2CCCCC2)n1.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole?
The InChIKey is MMHQVDKXTPCPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-5-12(6-3-1)7-9-14-10-11-4-8-13-10/h4,8H,1-3,5-7,9H2.
What are the key properties of 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole?
2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole has a molecular weight of 212.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 122150934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).