2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole

C9H14N2OS — CID 18722994

IUPAC2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole
SMILESCN1CCC(Sc2ncco2)CC1
InChIInChI=1S/C9H14N2OS/c1-11-5-2-8(3-6-11)13-9-10-4-7-12-9/h4,7-8H,2-3,5-6H2,1H3
InChIKeyBBXIGAWJQNHETF-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.86
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole

2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 18722994) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID18722994
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole
SMILESCN1CCC(Sc2ncco2)CC1
InChIInChI=1S/C9H14N2OS/c1-11-5-2-8(3-6-11)13-9-10-4-7-12-9/h4,7-8H,2-3,5-6H2,1H3
InChIKeyBBXIGAWJQNHETF-UHFFFAOYSA-N
XLogP1.86
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole (CID 18722994) is 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole is CN1CCC(Sc2ncco2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is BBXIGAWJQNHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-5-2-8(3-6-11)13-9-10-4-7-12-9/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole?
2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 198.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 18722994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).